Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2012-09-12 03:18:55 UTC

Update Date

2022-09-22 18:34:27 UTC

HMDB ID

HMDB0041623

Secondary Accession Numbers

HMDB41623

Metabolite Identification

Common Name

N6-Carbamoyl-L-threonyladenosine

Description

N6-Carbamoyl-L-threonyladenosine is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds composed of a purine base attached to a ribosyl or deoxyribosyl moiety. N6-Carbamoyl-L-threonyladenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Within the cell, N6-carbamoyl-L-threonyladenosine is primarily located in the cytoplasm. It can also be found in the extracellular space. N6-Carbamoyl-L-threonyladenosine is a minor constituent found in human and bovine milk (PMID: 7702711 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

            
  Mrv1652311301722122D          

 29 31  0  0  0  0            999 V2000
 2498.9214 2501.6466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2064 2502.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.4916 2501.6466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2497.4916 2500.8211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7769 2500.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.0580 2500.8232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7769 2499.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7769 2502.0583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2496.0621 2501.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7769 2502.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2064 2502.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2049 2500.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2049 2499.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9201 2499.1693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9199 2500.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.9052 2499.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.4202 2500.6623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2499.6356 2500.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.6356 2499.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.4202 2499.3274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.6751 2498.5429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2500.1902 2497.8754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2500.6751 2497.2080    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2501.4597 2497.4629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2501.4597 2498.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1272 2496.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.3651 2497.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2500.4202 2496.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8809 2497.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  1  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
 12 13  2  0  0  0  0
 15 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15  1  1  0  0  0  0
 18 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 16 20  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 21 25  1  0  0  0  0
 21 20  1  6  0  0  0
 24 26  1  6  0  0  0
 22 27  1  1  0  0  0
 23 28  1  1  0  0  0
 26 29  1  0  0  0  0
 18 15  2  0  0  0  0
 14 19  2  0  0  0  0
M  END

HMDB0041623
     RDKit          3D
N6-Carbamoyl-L-threonyladenosine
 50 52  0  0  0  0  0  0  0  0999 V2000
    5.3588   -1.4938    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4316   -0.4612    0.7513 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0600    0.0444    1.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1815    0.6230   -0.3030 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4463    1.2046   -0.7045 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932    1.9670    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5238    2.4695   -0.4749 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0599    2.2481    1.2898 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    1.6614    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7733    2.8088    0.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8726    1.5414    0.2998 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230    0.4061   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761   -0.6822   -0.6596 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7778   -1.6953   -0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5564   -1.6780   -0.7305 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022   -0.6044   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2647    0.4307    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470    1.3531    0.8090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137    0.9115    0.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551   -0.3030    0.2670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5288   -1.1359    0.0938 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3749   -0.6993   -0.8927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6866   -0.8954   -0.4565 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6615   -0.0362   -1.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3557    1.2897   -1.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5669   -0.3842    0.9858 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6577   -0.7269    1.7521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2951   -1.1019    1.4081 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6152   -2.3905    1.7756 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5857   -2.3040    0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704   -1.8597   -0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -0.9362   -0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5038   -0.9330    1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6737   -0.3436    2.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    0.0671   -1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7641    1.0299   -1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8911    3.4112   -0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077    1.8231   -1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3353    2.3905    0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015   -2.5642   -1.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1579    1.4716    1.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   -2.1952   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9588   -1.9564   -0.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6740   -0.2422   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6981   -0.3744   -2.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9721    1.6925   -0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4007    0.6985    0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8121    0.0400    2.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518   -0.5370    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5422   -3.0498    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 12  1  0
 28 21  1  0
 20 16  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  1
  3 34  1  0
  4 35  1  6
  5 36  1  0
  7 37  1  0
  7 38  1  0
 11 39  1  0
 14 40  1  0
 19 41  1  0
 21 42  1  6
 23 43  1  1
 24 44  1  0
 24 45  1  0
 25 46  1  0
 26 47  1  6
 27 48  1  0
 28 49  1  1
 29 50  1  0
M  END

            
  Mrv1652311301722122D          

 29 31  0  0  0  0            999 V2000
 2498.9214 2501.6466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2064 2502.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.4916 2501.6466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2497.4916 2500.8211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7769 2500.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.0580 2500.8232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7769 2499.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7769 2502.0583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2496.0621 2501.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7769 2502.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2064 2502.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2049 2500.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2049 2499.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9201 2499.1693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9199 2500.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.9052 2499.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.4202 2500.6623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2499.6356 2500.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.6356 2499.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.4202 2499.3274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.6751 2498.5429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2500.1902 2497.8754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2500.6751 2497.2080    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2501.4597 2497.4629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2501.4597 2498.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1272 2496.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.3651 2497.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2500.4202 2496.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8809 2497.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  1  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
 12 13  2  0  0  0  0
 15 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15  1  1  0  0  0  0
 18 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 16 20  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 21 25  1  0  0  0  0
 21 20  1  6  0  0  0
 24 26  1  6  0  0  0
 22 27  1  1  0  0  0
 23 28  1  1  0  0  0
 26 29  1  0  0  0  0
 18 15  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041623

> <DATABASE_NAME>
hmdb

> <SMILES>
C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C15H21N7O7/c1-5(24)7(20-15(16)28)13(27)21-11-8-12(18-3-17-11)22(4-19-8)14-10(26)9(25)6(2-23)29-14/h3-7,9-10,14,23-26H,2H2,1H3,(H3,16,20,28)(H,17,18,21,27)/t5-,6-,7+,9-,10-,14-/m1/s1

> <INCHI_KEY>
GYCVHQYQICRFAX-CKTDUXNWSA-N

> <FORMULA>
C15H21N7O7

> <MOLECULAR_WEIGHT>
411.375

> <EXACT_MASS>
411.150246044

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
38.91615334641898

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R)-2-(carbamoylamino)-N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-3-hydroxybutanamide

> <ALOGPS_LOGP>
-2.05

> <JCHEM_LOGP>
-3.524727023333333

> <ALOGPS_LOGS>
-1.90

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.42014870929313

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.62549823173877

> <JCHEM_PKA_STRONGEST_BASIC>
0.3886783328957404

> <JCHEM_POLAR_SURFACE_AREA>
217.96999999999997

> <JCHEM_REFRACTIVITY>
95.29479999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.23e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R)-2-(carbamoylamino)-N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}-3-hydroxybutanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041623
     RDKit          3D
N6-Carbamoyl-L-threonyladenosine
 50 52  0  0  0  0  0  0  0  0999 V2000
    5.3588   -1.4938    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4316   -0.4612    0.7513 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0600    0.0444    1.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1815    0.6230   -0.3030 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4463    1.2046   -0.7045 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932    1.9670    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5238    2.4695   -0.4749 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0599    2.2481    1.2898 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    1.6614    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7733    2.8088    0.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8726    1.5414    0.2998 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230    0.4061   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761   -0.6822   -0.6596 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7778   -1.6953   -0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5564   -1.6780   -0.7305 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022   -0.6044   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2647    0.4307    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470    1.3531    0.8090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137    0.9115    0.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551   -0.3030    0.2670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5288   -1.1359    0.0938 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3749   -0.6993   -0.8927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6866   -0.8954   -0.4565 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6615   -0.0362   -1.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3557    1.2897   -1.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5669   -0.3842    0.9858 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6577   -0.7269    1.7521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2951   -1.1019    1.4081 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6152   -2.3905    1.7756 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5857   -2.3040    0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704   -1.8597   -0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -0.9362   -0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5038   -0.9330    1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6737   -0.3436    2.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    0.0671   -1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7641    1.0299   -1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8911    3.4112   -0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077    1.8231   -1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3353    2.3905    0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015   -2.5642   -1.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1579    1.4716    1.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   -2.1952   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9588   -1.9564   -0.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6740   -0.2422   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6981   -0.3744   -2.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9721    1.6925   -0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4007    0.6985    0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8121    0.0400    2.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518   -0.5370    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5422   -3.0498    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 12  1  0
 28 21  1  0
 20 16  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  1
  3 34  1  0
  4 35  1  6
  5 36  1  0
  7 37  1  0
  7 38  1  0
 11 39  1  0
 14 40  1  0
 19 41  1  0
 21 42  1  6
 23 43  1  1
 24 44  1  0
 24 45  1  0
 25 46  1  0
 26 47  1  6
 27 48  1  0
 28 49  1  1
 29 50  1  0
M  END

HEADER    PROTEIN                                 30-NOV-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-NOV-17         0                                  
HETATM    1  N   UNK     0    4664.6534669.740   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0    4663.3194670.509   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    4661.9844669.740   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0    4661.9844668.199   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0    4660.6504667.427   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0    4659.3084668.203   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0    4660.6504665.886   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0    4660.6504670.509   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    4659.3164669.740   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    4660.6504672.050   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    4663.3194672.050   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0    4663.3164667.428   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0    4663.3164665.887   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0    4664.6514665.116   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0    4664.6504668.199   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    4668.3564666.657   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0    4667.4514667.903   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0    4665.9864667.427   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    4665.9864665.887   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0    4667.4514665.411   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0    4667.9274663.947   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    4667.0224662.701   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    4667.9274661.455   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    4669.3914661.931   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0    4669.3914663.471   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0    4670.6374661.026   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0    4665.4824662.701   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0    4667.4514659.990   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0    4672.0444661.652   0.000  0.00  0.00           O+0
CONECT    1    2   15                                                       
CONECT    2    1    3   11                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    3    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    2                                                            
CONECT   12   13   15                                                       
CONECT   13   12   14                                                       
CONECT   14   13   19                                                       
CONECT   15   12    1   18                                                  
CONECT   16   17   20                                                       
CONECT   17   16   18                                                       
CONECT   18   19   17   15                                                  
CONECT   19   18   20   14                                                  
CONECT   20   16   19   21                                                  
CONECT   21   22   25   20                                                  
CONECT   22   23   21   27                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24   21                                                       
CONECT   26   24   29                                                       
CONECT   27   22                                                            
CONECT   28   23                                                            
CONECT   29   26                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END

COMPND    HMDB0041623
HETATM    1  C1  UNL     1       5.359  -1.494   0.132  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.432  -0.461   0.751  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.060   0.044   1.881  1.00  0.00           O  
HETATM    4  C3  UNL     1       4.181   0.623  -0.303  1.00  0.00           C  
HETATM    5  N1  UNL     1       5.446   1.205  -0.704  1.00  0.00           N  
HETATM    6  C4  UNL     1       6.293   1.967   0.099  1.00  0.00           C  
HETATM    7  N2  UNL     1       7.524   2.470  -0.475  1.00  0.00           N  
HETATM    8  O2  UNL     1       6.060   2.248   1.290  1.00  0.00           O  
HETATM    9  C5  UNL     1       3.254   1.661   0.143  1.00  0.00           C  
HETATM   10  O3  UNL     1       3.773   2.809   0.419  1.00  0.00           O  
HETATM   11  N3  UNL     1       1.873   1.541   0.300  1.00  0.00           N  
HETATM   12  C6  UNL     1       1.123   0.406  -0.055  1.00  0.00           C  
HETATM   13  N4  UNL     1       1.576  -0.682  -0.660  1.00  0.00           N  
HETATM   14  C7  UNL     1       0.778  -1.695  -0.991  1.00  0.00           C  
HETATM   15  N5  UNL     1      -0.556  -1.678  -0.731  1.00  0.00           N  
HETATM   16  C8  UNL     1      -1.102  -0.604  -0.115  1.00  0.00           C  
HETATM   17  C9  UNL     1      -0.265   0.431   0.220  1.00  0.00           C  
HETATM   18  N6  UNL     1      -1.047   1.353   0.809  1.00  0.00           N  
HETATM   19  C10 UNL     1      -2.314   0.912   0.839  1.00  0.00           C  
HETATM   20  N7  UNL     1      -2.355  -0.303   0.267  1.00  0.00           N  
HETATM   21  C11 UNL     1      -3.529  -1.136   0.094  1.00  0.00           C  
HETATM   22  O4  UNL     1      -4.375  -0.699  -0.893  1.00  0.00           O  
HETATM   23  C12 UNL     1      -5.687  -0.895  -0.457  1.00  0.00           C  
HETATM   24  C13 UNL     1      -6.662  -0.036  -1.209  1.00  0.00           C  
HETATM   25  O5  UNL     1      -6.356   1.290  -1.037  1.00  0.00           O  
HETATM   26  C14 UNL     1      -5.567  -0.384   0.986  1.00  0.00           C  
HETATM   27  O6  UNL     1      -6.658  -0.727   1.752  1.00  0.00           O  
HETATM   28  C15 UNL     1      -4.295  -1.102   1.408  1.00  0.00           C  
HETATM   29  O7  UNL     1      -4.615  -2.391   1.776  1.00  0.00           O  
HETATM   30  H1  UNL     1       5.586  -2.304   0.850  1.00  0.00           H  
HETATM   31  H2  UNL     1       4.870  -1.860  -0.797  1.00  0.00           H  
HETATM   32  H3  UNL     1       6.275  -0.936  -0.191  1.00  0.00           H  
HETATM   33  H4  UNL     1       3.504  -0.933   1.075  1.00  0.00           H  
HETATM   34  H5  UNL     1       4.674  -0.344   2.719  1.00  0.00           H  
HETATM   35  H6  UNL     1       3.741   0.067  -1.191  1.00  0.00           H  
HETATM   36  H7  UNL     1       5.764   1.030  -1.726  1.00  0.00           H  
HETATM   37  H8  UNL     1       7.891   3.411  -0.243  1.00  0.00           H  
HETATM   38  H9  UNL     1       8.008   1.823  -1.130  1.00  0.00           H  
HETATM   39  H10 UNL     1       1.335   2.391   0.649  1.00  0.00           H  
HETATM   40  H11 UNL     1       1.202  -2.564  -1.485  1.00  0.00           H  
HETATM   41  H12 UNL     1      -3.158   1.472   1.267  1.00  0.00           H  
HETATM   42  H13 UNL     1      -3.232  -2.195  -0.132  1.00  0.00           H  
HETATM   43  H14 UNL     1      -5.959  -1.956  -0.436  1.00  0.00           H  
HETATM   44  H15 UNL     1      -7.674  -0.242  -0.777  1.00  0.00           H  
HETATM   45  H16 UNL     1      -6.698  -0.374  -2.257  1.00  0.00           H  
HETATM   46  H17 UNL     1      -6.972   1.693  -0.370  1.00  0.00           H  
HETATM   47  H18 UNL     1      -5.401   0.698   0.905  1.00  0.00           H  
HETATM   48  H19 UNL     1      -6.812   0.040   2.392  1.00  0.00           H  
HETATM   49  H20 UNL     1      -3.752  -0.537   2.192  1.00  0.00           H  
HETATM   50  H21 UNL     1      -4.542  -3.050   1.031  1.00  0.00           H  
CONECT    1    2   30   31   32
CONECT    2    3    4   33
CONECT    3   34
CONECT    4    5    9   35
CONECT    5    6   36
CONECT    6    7    8    8
CONECT    7   37   38
CONECT    9   10   10   11
CONECT   11   12   39
CONECT   12   13   13   17
CONECT   13   14
CONECT   14   15   15   40
CONECT   15   16
CONECT   16   17   17   20
CONECT   17   18
CONECT   18   19   19
CONECT   19   20   41
CONECT   20   21
CONECT   21   22   28   42
CONECT   22   23
CONECT   23   24   26   43
CONECT   24   25   44   45
CONECT   25   46
CONECT   26   27   28   47
CONECT   27   48
CONECT   28   29   49
CONECT   29   50
END

HMDB0041623
     RDKit          3D
N6-Carbamoyl-L-threonyladenosine
 50 52  0  0  0  0  0  0  0  0999 V2000
    5.3588   -1.4938    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4316   -0.4612    0.7513 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0600    0.0444    1.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1815    0.6230   -0.3030 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4463    1.2046   -0.7045 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932    1.9670    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5238    2.4695   -0.4749 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0599    2.2481    1.2898 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    1.6614    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7733    2.8088    0.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8726    1.5414    0.2998 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230    0.4061   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761   -0.6822   -0.6596 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7778   -1.6953   -0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5564   -1.6780   -0.7305 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022   -0.6044   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2647    0.4307    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470    1.3531    0.8090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137    0.9115    0.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551   -0.3030    0.2670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5288   -1.1359    0.0938 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3749   -0.6993   -0.8927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6866   -0.8954   -0.4565 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6615   -0.0362   -1.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3557    1.2897   -1.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5669   -0.3842    0.9858 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6577   -0.7269    1.7521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2951   -1.1019    1.4081 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6152   -2.3905    1.7756 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5857   -2.3040    0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704   -1.8597   -0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -0.9362   -0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5038   -0.9330    1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6737   -0.3436    2.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    0.0671   -1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7641    1.0299   -1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8911    3.4112   -0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077    1.8231   -1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3353    2.3905    0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015   -2.5642   -1.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1579    1.4716    1.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   -2.1952   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9588   -1.9564   -0.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6740   -0.2422   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6981   -0.3744   -2.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9721    1.6925   -0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4007    0.6985    0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8121    0.0400    2.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518   -0.5370    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5422   -3.0498    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 12  1  0
 28 21  1  0
 20 16  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  1
  3 34  1  0
  4 35  1  6
  5 36  1  0
  7 37  1  0
  7 38  1  0
 11 39  1  0
 14 40  1  0
 19 41  1  0
 21 42  1  6
 23 43  1  1
 24 44  1  0
 24 45  1  0
 25 46  1  0
 26 47  1  6
 27 48  1  0
 28 49  1  1
 29 50  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N6-Carbamoylthreonyladenosine	HMDB
(2S,3R)-N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-3-hydroxy-2-[(C-hydroxycarbonimidoyl)amino]butanimidate	HMDB

Chemical Formula

C₁₅H₂₁N₇O₇

Average Molecular Weight

411.375

Monoisotopic Molecular Weight

411.150246044

IUPAC Name

(2S,3R)-2-(carbamoylamino)-N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-3-hydroxybutanamide

Traditional Name

(2S,3R)-2-(carbamoylamino)-N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}-3-hydroxybutanamide

CAS Registry Number

89019-62-5

SMILES

C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1

InChI Identifier

InChI=1S/C15H21N7O7/c1-5(24)7(20-15(16)28)13(27)21-11-8-12(18-3-17-11)22(4-19-8)14-10(26)9(25)6(2-23)29-14/h3-7,9-10,14,23-26H,2H2,1H3,(H3,16,20,28)(H,17,18,21,27)/t5-,6-,7+,9-,10-,14-/m1/s1

InChI Key

GYCVHQYQICRFAX-CKTDUXNWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleosides

Sub Class

Not Available

Direct Parent

Purine nucleosides

Alternative Parents

Substituents

Purine nucleoside
N-carbamoyl-alpha-amino acid or derivatives
Alpha-amino acid amide
Glycosyl compound
N-glycosyl compound
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Pentose monosaccharide
Imidazopyrimidine
Purine
N-arylamide
Fatty amide
Fatty acyl
Monosaccharide
N-substituted imidazole
Pyrimidine
Imidolactam
Azole
Tetrahydrofuran
Imidazole
Heteroaromatic compound
Urea
Secondary carboxylic acid amide
Secondary alcohol
Carbonic acid derivative
Carboxamide group
Organoheterocyclic compound
Carboxylic acid derivative
Azacycle
Oxacycle
Hydrocarbon derivative
Organic oxygen compound
Organopnictogen compound
Organic oxide
Organic nitrogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Alcohol
Primary alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Breast milk (PMID: 7702711)

Organ

Placenta (HMDB: HMDB0041623)

Excreta

Biofluid or Excreta

Feces (PMID: 27543620)

Cellular substructure

Extracellular (HMDB: HMDB0041623)
Cytoplasm (HMDB: HMDB0041623)

Source

Exogenous

Exogenous (HMDB: HMDB0041623)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.34 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.5	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	10.63	ChemAxon
pKa (Strongest Basic)	0.39	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	217.97 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	95.29 m³·mol⁻¹	ChemAxon
Polarizability	38.92 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	188.427	30932474
DeepCCS	[M-H]-	186.379	30932474
DeepCCS	[M-2H]-	219.619	30932474
DeepCCS	[M+Na]+	194.58	30932474
AllCCS	[M+H]+	190.9	32859911
AllCCS	[M+H-H2O]+	188.6	32859911
AllCCS	[M+NH4]+	193.0	32859911
AllCCS	[M+Na]+	193.6	32859911
AllCCS	[M-H]-	191.2	32859911
AllCCS	[M+Na-2H]-	191.0	32859911
AllCCS	[M+HCOO]-	190.9	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	2.35 minutes	32390414
Predicted by Siyang on May 30, 2022	9.9301 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	6.98 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	391.2 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	812.1 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	206.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	46.8 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	151.6 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	56.9 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	346.0 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	262.8 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	853.6 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	568.5 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	73.5 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	802.6 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	186.4 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	209.2 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	497.9 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	578.4 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	392.1 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N6-Carbamoyl-L-threonyladenosine	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1	4400.1	Standard polar	33892256
N6-Carbamoyl-L-threonyladenosine	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1	2787.5	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1	4090.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N6-Carbamoyl-L-threonyladenosine,1TMS,isomer #1	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	3692.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TMS,isomer #2	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O	3720.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TMS,isomer #3	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O	3710.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TMS,isomer #4	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C	3689.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TMS,isomer #5	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	3774.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TMS,isomer #6	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(N)=O)[Si](C)(C)C	3624.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TMS,isomer #7	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C	3597.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #1	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O	3598.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #10	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)N(C(N)=O)[Si](C)(C)C	3548.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #11	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3516.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #12	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3580.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #13	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O	3645.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #14	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(N)=O)[Si](C)(C)C	3537.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #15	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3506.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #16	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C	3634.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #17	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3514.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #18	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3490.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #19	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3603.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #2	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O	3594.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #20	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	3627.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #21	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C	3573.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #22	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3436.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #3	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C	3580.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #4	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	3656.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #5	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(N)=O)[Si](C)(C)C	3562.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #6	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C	3515.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #7	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3563.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #8	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3570.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TMS,isomer #9	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O	3660.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #1	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3511.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #10	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C	3563.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #11	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3486.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #12	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3443.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #13	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3549.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #14	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	3580.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #15	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C	3506.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #16	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3438.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #17	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3494.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #18	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3540.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #19	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(N)=O)[Si](C)(C)C	3451.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #2	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3519.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #20	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3422.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #21	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3556.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #22	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3454.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #23	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3430.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #24	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3524.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #25	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O	3552.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #26	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3493.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #27	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3393.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #28	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3555.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #29	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3462.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #3	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O	3574.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #30	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3433.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #31	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3518.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #32	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O	3554.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #33	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3485.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #34	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3406.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #35	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3507.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #36	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C	3540.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #37	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3471.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #38	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3387.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #39	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3446.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #4	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)N(C(N)=O)[Si](C)(C)C	3505.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #40	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3561.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #41	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C	3499.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #5	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3461.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #6	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3520.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #7	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O	3572.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #8	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(N)=O)[Si](C)(C)C	3513.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TMS,isomer #9	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3464.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #1	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3497.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #10	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3483.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #11	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3413.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #12	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3529.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #13	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3485.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #14	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3443.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #15	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3522.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #16	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O	3557.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #17	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3495.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #18	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3440.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #19	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3503.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #2	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3514.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #20	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C	3542.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #21	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3482.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #22	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3423.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #23	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3468.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #24	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3573.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #25	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C	3502.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #26	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3488.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #27	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3428.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #28	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3397.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #29	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3458.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #3	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(N)=O)[Si](C)(C)C	3468.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #30	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3493.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #31	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3442.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #32	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3352.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #33	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3460.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #34	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3498.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #35	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3445.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #36	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3354.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #37	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3418.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #38	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3528.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #39	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3462.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #4	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3429.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #40	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3465.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #41	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3508.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #42	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3448.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #43	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3367.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #44	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3422.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #45	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3532.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #46	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3481.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #47	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3416.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #48	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3520.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #49	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3471.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #5	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3521.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #50	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3475.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #6	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3472.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #7	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3431.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #8	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3508.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TMS,isomer #9	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O	3544.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #1	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3513.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #1	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3336.2	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #10	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3483.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #10	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3193.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #11	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3410.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #11	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3234.4	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #12	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3462.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #12	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3281.0	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #13	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3570.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #13	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3521.7	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #14	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3491.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #14	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3320.5	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #15	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3518.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #15	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3375.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #16	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3550.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #16	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3423.8	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #17	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3493.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #17	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3196.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #18	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3430.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #18	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3237.0	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #19	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3474.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #19	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3270.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #2	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3476.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #2	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3314.6	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #20	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3589.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #20	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3520.4	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #21	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3515.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #21	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3311.3	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #22	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3465.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #22	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3280.4	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #23	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3577.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #23	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3535.6	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #24	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3505.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #24	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3321.0	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #25	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3527.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #25	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3462.2	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #26	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3472.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #26	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3412.7	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #27	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3488.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #27	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3452.0	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #28	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3445.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #28	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3235.8	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #29	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3366.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #29	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3264.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #3	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3443.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #3	C[C@@H](O[Si](C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3172.7	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #30	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3405.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #30	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3303.2	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #31	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3508.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #31	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3550.6	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #32	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3442.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #32	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3342.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #33	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3411.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #33	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3317.5	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #34	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3509.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #34	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3568.5	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #35	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3447.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #35	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3357.2	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #36	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3463.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #36	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3489.4	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #37	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3417.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #37	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3318.7	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #38	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3514.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #38	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3568.5	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #39	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3461.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #39	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3357.4	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #4	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3505.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #4	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3361.5	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #40	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3474.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #40	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3484.8	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #41	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3473.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #41	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3497.1	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #5	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3530.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #5	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3410.6	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #6	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3478.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #6	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3182.2	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #7	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3408.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #7	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3222.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #8	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3506.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #8	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3377.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #9	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3534.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,5TMS,isomer #9	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3427.5	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #1	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3542.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #1	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3337.5	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #10	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3502.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #10	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3272.1	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #11	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3535.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #11	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3410.6	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #12	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3489.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #12	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3247.8	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #13	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3604.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #13	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3505.3	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #14	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3513.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #14	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3275.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #15	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3548.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #15	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3410.4	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #16	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3545.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #16	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3423.6	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #17	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3445.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #17	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3278.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #18	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3547.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #18	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3531.7	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #19	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3463.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #19	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3300.6	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #2	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3553.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #2	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3372.6	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #20	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3477.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #20	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3436.7	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #21	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3481.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #21	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3450.9	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #22	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3482.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #22	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3456.7	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #3	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3503.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #3	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3163.2	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #4	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3442.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #4	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	3184.4	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #5	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3481.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #5	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3231.7	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #6	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3588.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #6	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3485.5	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #7	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3502.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #7	C[C@@H](O[Si](C)(C)C)[C@H](NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	3260.3	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #8	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3482.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #8	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	3243.1	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #9	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3590.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,6TMS,isomer #9	C[C@@H](O[Si](C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3503.2	Standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	3909.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TBDMS,isomer #2	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3936.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TBDMS,isomer #3	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3916.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TBDMS,isomer #4	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3907.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TBDMS,isomer #5	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	4011.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TBDMS,isomer #6	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(N)=O)[Si](C)(C)C(C)(C)C	3849.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,1TBDMS,isomer #7	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3808.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4030.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #10	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)N(C(N)=O)[Si](C)(C)C(C)(C)C	3985.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #11	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3939.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #12	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4000.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #13	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4072.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #14	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N(C(N)=O)[Si](C)(C)C(C)(C)C	3964.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #15	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3917.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #16	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4070.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #17	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	3950.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #18	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3913.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #19	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4016.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #2	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4000.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #20	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	4094.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #21	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3971.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #22	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	3830.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #3	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3993.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #4	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	4079.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #5	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(N)=O)[Si](C)(C)C(C)(C)C	3982.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #6	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3912.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #7	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4008.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #8	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4022.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,2TBDMS,isomer #9	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4091.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4119.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #10	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4164.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #11	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4096.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #12	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4036.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #13	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4154.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #14	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	4187.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #15	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4085.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #16	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	3997.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #17	C[C@@H](O)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4125.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #18	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4163.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #19	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N(C(N)=O)[Si](C)(C)C(C)(C)C	4086.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #2	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4131.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #20	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	4026.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #21	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4178.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #22	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4091.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #23	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4038.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #24	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4138.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #25	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4183.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #26	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4085.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #27	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	3987.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #28	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4141.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #29	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4069.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #3	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4194.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #30	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4020.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #31	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4125.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #32	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4171.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #33	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	4067.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #34	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	3977.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #35	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4125.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #36	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4166.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #37	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4067.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #38	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	3972.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #39	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4007.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #4	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)N(C(N)=O)[Si](C)(C)C(C)(C)C	4128.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #40	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4189.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #41	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4076.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #5	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4058.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #6	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4109.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #7	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4165.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #8	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N(C(N)=O)[Si](C)(C)C(C)(C)C	4102.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,3TBDMS,isomer #9	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	4035.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #1	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4271.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #10	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4229.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #11	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4164.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #12	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4285.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #13	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4235.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #14	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4168.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #15	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4283.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #16	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4308.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #17	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	4222.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #18	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4145.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #19	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4284.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #2	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4302.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #20	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4306.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #21	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4221.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #22	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4146.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #23	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4180.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #24	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4324.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #25	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4224.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #26	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4277.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #27	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4222.6	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #28	C[C@@H](O)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4157.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #29	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4246.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #3	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N(C(N)=O)[Si](C)(C)C(C)(C)C	4245.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #30	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4287.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #31	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	4195.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #32	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4120.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #33	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4252.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #34	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4293.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #35	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4201.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #36	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4125.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #37	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4158.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #38	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4308.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #39	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4207.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #4	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	4177.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #40	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4232.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #41	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4276.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #42	C[C@@H](O)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4179.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #43	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4109.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #44	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4147.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #45	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4304.0	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #46	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	4201.9	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #47	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4149.1	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #48	C[C@@H](O)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4297.3	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #49	C[C@@H](O)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4200.7	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #5	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4302.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #50	C[C@@H](O)[C@@H](C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4211.4	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #6	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	4251.2	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #7	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(N)=O)C(=O)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4182.5	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #8	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4295.8	Semi standard non polar	33892256
N6-Carbamoyl-L-threonyladenosine,4TBDMS,isomer #9	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4320.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N6-Carbamoyl-L-threonyladenosine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N6-Carbamoyl-L-threonyladenosine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N6-Carbamoyl-L-threonyladenosine GC-MS (TBDMS_4_50) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N6-Carbamoyl-L-threonyladenosine GC-MS ("N6-Carbamoyl-L-threonyladenosine,4TBDMS,#50" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 10V, Positive-QTOF	splash10-03ec-0295100000-dd0a7f68fed335d54e87	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 20V, Positive-QTOF	splash10-001i-0790000000-76fe4703eef1e5251d56	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 40V, Positive-QTOF	splash10-001i-1940000000-f810a5bdef52a50d9a89	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 10V, Negative-QTOF	splash10-00mo-7189200000-98389b90df31ce724bdb	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 20V, Negative-QTOF	splash10-002g-4193000000-b93c6a0a2b4aeaaf5f6c	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 40V, Negative-QTOF	splash10-0006-9450000000-2e740dcee3f05df70f94	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 10V, Positive-QTOF	splash10-03di-0059800000-898681b995fa652d206c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 20V, Positive-QTOF	splash10-03di-0192000000-f3fe7df861c514bcc4be	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 40V, Positive-QTOF	splash10-03e9-2590000000-ff29117d97486cfd3ac0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 10V, Negative-QTOF	splash10-03xr-0009400000-e1ea4bd3335c59980439	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 20V, Negative-QTOF	splash10-01p5-2039000000-b1ed05fa3b95df27311e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Carbamoyl-L-threonyladenosine 40V, Negative-QTOF	splash10-03di-3960000000-79b7a9cecade3806a55c	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Breast Milk
Feces
Urine

Tissue Locations

Placenta

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Breast Milk	Detected and Quantified	0.40 +/- 0.23 uM	Adult (>18 years old)	Female	Normal	7702711	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

Associated Disorders and Diseases

Disease References

Colorectal cancer
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021785

KNApSAcK ID

Not Available

Chemspider ID

74854310

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

92021849

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Schlimme E, Schneehagen K: Ribonucleosides in human milk. Concentration profiles of these minor constituents as a function of the nursing time. Z Naturforsch C. 1995 Jan-Feb;50(1-2):105-13. [PubMed:7702711 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for N6-Carbamoyl-L-threonyladenosine (HMDB0041623)

MOL for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

3D MOL for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

3D SDF for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

3D-SDF for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

PDB for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

3D PDB for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

SMILES for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

INCHI for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

Structure for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

3D Structure for HMDB0041623 (N6-Carbamoyl-L-threonyladenosine)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra