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Showing metabocard for Se-Adenosylselenohomocysteine (HMDB0011117)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (8) Show 8 proteinsXML
enzymes (8) Show 8 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-10-16 22:32:30 UTC
Update Date2021-09-14 15:19:50 UTC
HMDB IDHMDB0011117
Secondary Accession Numbers
  • HMDB11117
Metabolite Identification
Common NameSe-Adenosylselenohomocysteine
DescriptionSe-Adenosylselenohomocysteine belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. Se-Adenosylselenohomocysteine is a very strong basic compound (based on its pKa). Within humans, se-adenosylselenohomocysteine participates in a number of enzymatic reactions. In particular, se-adenosylselenohomocysteine can be converted into selenohomocysteine and adenosine through its interaction with the enzyme adenosylhomocysteinase. In addition, se-adenosylselenohomocysteine can be biosynthesized from se-adenosylselenomethionine; which is mediated by the enzyme methyltransferase-like protein 6. In humans, se-adenosylselenohomocysteine is involved in selenoamino acid metabolism.
Structure
Data?1582752869
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0011117 (Se-Adenosylselenohomocysteine)


  Mrv0541 02241201192D          

 26 28  0  0  1  0            999 V2000
    1.8378   -0.0274    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.6195    0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526   -0.2881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3544    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293   -0.1851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    0.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -1.0732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8412    1.3028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293    1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2881   -0.2881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0274   -1.0732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2652   -1.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    1.0492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    2.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143   -1.7384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -0.4423    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092   -0.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321   -0.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224    0.7955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3487   -0.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321   -1.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3  1  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0011117 (Se-Adenosylselenohomocysteine)

HMDB0011117
     RDKit          3D
Se-Adenosylselenohomocysteine
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.4293   -0.1138   -2.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    0.4937   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5565    1.7763   -0.9119 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5882    2.2994   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488    1.5456    0.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101    0.2408   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794   -0.3021   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0255   -1.5964   -1.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -1.7982   -0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4691   -0.6790    0.2047 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242   -0.4107    1.0121 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4747    0.5511    0.5287 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808    0.2107    0.8203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6368    1.3561    1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    0.6944    1.7325 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.4608    0.5632    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7928   -0.0435    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7081   -0.2207   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9378   -0.8195   -0.1764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0326    1.0289   -1.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1983    1.7426   -2.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3683    1.4807   -1.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195   -0.9499    1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8881   -1.7517    1.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -1.6467    1.2817 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1123   -2.2856    0.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    0.4860   -2.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721   -1.1092   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6227    3.3464    0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468   -2.7405   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -0.0956    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -0.1969   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803    1.7560    2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    2.1425    0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6238    1.5599   -0.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -0.0691   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6818   -1.0209    0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3101    0.6256    1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2242   -0.9089   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6329   -1.0052   -0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2986   -0.1019    0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5806    2.2402   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -0.5527    2.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -1.7632    2.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9218   -2.3208    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879   -1.6373   -0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 13 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  7  2  1  0
 25 11  1  0
 10  6  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  9 30  1  0
 11 31  1  1
 13 32  1  6
 14 33  1  0
 14 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 19 41  1  0
 22 42  1  0
 23 43  1  1
 24 44  1  0
 25 45  1  1
 26 46  1  0
M  END
Download

3D SDF for HMDB0011117 (Se-Adenosylselenohomocysteine)


  Mrv0541 02241201192D          

 26 28  0  0  1  0            999 V2000
    1.8378   -0.0274    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.6195    0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526   -0.2881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3544    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293   -0.1851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    0.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -1.0732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8412    1.3028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293    1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2881   -0.2881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0274   -1.0732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2652   -1.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    1.0492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    2.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143   -1.7384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -0.4423    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092   -0.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321   -0.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224    0.7955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3487   -0.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321   -1.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3  1  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0011117

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13+/m1/s1

> <INCHI_KEY>
UVSMMLABJBJNGH-WWJIDFMMSA-N

> <FORMULA>
C14H20N6O5Se

> <MOLECULAR_WEIGHT>
431.31

> <EXACT_MASS>
432.066039608

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
36.905167642975385

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-({[(2S,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}selanyl)butanoic acid

> <ALOGPS_LOGP>
-2.54

> <JCHEM_LOGP>
-5.3131766740298945

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.472280052715373

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3131055876641091

> <JCHEM_PKA_STRONGEST_BASIC>
9.501861401195526

> <JCHEM_POLAR_SURFACE_AREA>
182.63

> <JCHEM_REFRACTIVITY>
98.04489999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
se-adenosylselenohomocysteine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0011117 (Se-Adenosylselenohomocysteine)

HMDB0011117
     RDKit          3D
Se-Adenosylselenohomocysteine
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.4293   -0.1138   -2.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    0.4937   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5565    1.7763   -0.9119 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5882    2.2994   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488    1.5456    0.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101    0.2408   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794   -0.3021   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0255   -1.5964   -1.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -1.7982   -0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4691   -0.6790    0.2047 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242   -0.4107    1.0121 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4747    0.5511    0.5287 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808    0.2107    0.8203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6368    1.3561    1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    0.6944    1.7325 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.4608    0.5632    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7928   -0.0435    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7081   -0.2207   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9378   -0.8195   -0.1764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0326    1.0289   -1.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1983    1.7426   -2.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3683    1.4807   -1.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195   -0.9499    1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8881   -1.7517    1.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -1.6467    1.2817 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1123   -2.2856    0.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    0.4860   -2.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721   -1.1092   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6227    3.3464    0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468   -2.7405   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -0.0956    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -0.1969   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803    1.7560    2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    2.1425    0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6238    1.5599   -0.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -0.0691   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6818   -1.0209    0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3101    0.6256    1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2242   -0.9089   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6329   -1.0052   -0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2986   -0.1019    0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5806    2.2402   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -0.5527    2.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -1.7632    2.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9218   -2.3208    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879   -1.6373   -0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 13 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  7  2  1  0
 25 11  1  0
 10  6  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  9 30  1  0
 11 31  1  1
 13 32  1  6
 14 33  1  0
 14 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 19 41  1  0
 22 42  1  0
 23 43  1  1
 24 44  1  0
 25 45  1  1
 26 46  1  0
M  END
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PDB for HMDB0011117 (Se-Adenosylselenohomocysteine)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  N   UNK     0       3.431  -0.051   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       4.890   0.416   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.965  -0.538   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.528   1.197   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.896   1.959   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       6.215  -0.346   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0       0.717   0.371   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.485  -2.003   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       3.437   2.432   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       6.215   2.733   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.539   0.416   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.538  -0.538   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.051  -2.003   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.362  -3.456   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       7.539   1.959   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       6.208   4.269   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -1.997  -0.051   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.960  -3.245   0.000  0.00  0.00           O+0
HETATM   19 Se   UNK     0      -3.328  -0.826   0.000  0.00  0.00          Se+0
HETATM   20  C   UNK     0      -4.659  -0.051   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.991  -0.826   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -7.322  -0.051   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -8.647  -0.826   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      -7.322   1.485   0.000  0.00  0.00           N+0
HETATM   25  O   UNK     0      -9.984  -0.051   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -8.647  -2.368   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10    9                                                  
CONECT    6    2   11                                                       
CONECT    7    3   12                                                       
CONECT    8    3   13   14                                                  
CONECT    9    4    5                                                       
CONECT   10    5   15   16                                                  
CONECT   11    6   15                                                       
CONECT   12    7   17   13                                                  
CONECT   13    8   18   12                                                  
CONECT   14    8                                                            
CONECT   15   10   11                                                       
CONECT   16   10                                                            
CONECT   17   12   19                                                       
CONECT   18   13                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22   25   26                                                  
CONECT   24   22                                                            
CONECT   25   23                                                            
CONECT   26   23                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END
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3D PDB for HMDB0011117 (Se-Adenosylselenohomocysteine)

COMPND    HMDB0011117
HETATM    1  N1  UNL     1       7.429  -0.114  -2.089  1.00  0.00           N  
HETATM    2  C1  UNL     1       6.435   0.494  -1.263  1.00  0.00           C  
HETATM    3  N2  UNL     1       6.556   1.776  -0.912  1.00  0.00           N  
HETATM    4  C2  UNL     1       5.588   2.299  -0.130  1.00  0.00           C  
HETATM    5  N3  UNL     1       4.549   1.546   0.270  1.00  0.00           N  
HETATM    6  C3  UNL     1       4.410   0.241  -0.079  1.00  0.00           C  
HETATM    7  C4  UNL     1       5.379  -0.302  -0.867  1.00  0.00           C  
HETATM    8  N4  UNL     1       5.025  -1.596  -1.077  1.00  0.00           N  
HETATM    9  C5  UNL     1       3.873  -1.798  -0.421  1.00  0.00           C  
HETATM   10  N5  UNL     1       3.469  -0.679   0.205  1.00  0.00           N  
HETATM   11  C6  UNL     1       2.324  -0.411   1.012  1.00  0.00           C  
HETATM   12  O1  UNL     1       1.475   0.551   0.529  1.00  0.00           O  
HETATM   13  C7  UNL     1       0.181   0.211   0.820  1.00  0.00           C  
HETATM   14  C8  UNL     1      -0.637   1.356   1.380  1.00  0.00           C  
HETATM   15 SE1  UNL     1      -2.432   0.694   1.732  1.00  0.00          SE  
HETATM   16  C9  UNL     1      -3.461   0.563   0.087  1.00  0.00           C  
HETATM   17  C10 UNL     1      -4.793  -0.044   0.456  1.00  0.00           C  
HETATM   18  C11 UNL     1      -5.708  -0.221  -0.720  1.00  0.00           C  
HETATM   19  N6  UNL     1      -6.938  -0.819  -0.176  1.00  0.00           N  
HETATM   20  C12 UNL     1      -6.033   1.029  -1.424  1.00  0.00           C  
HETATM   21  O2  UNL     1      -5.198   1.743  -2.036  1.00  0.00           O  
HETATM   22  O3  UNL     1      -7.368   1.481  -1.426  1.00  0.00           O  
HETATM   23  C13 UNL     1       0.219  -0.950   1.809  1.00  0.00           C  
HETATM   24  O4  UNL     1      -0.888  -1.752   1.714  1.00  0.00           O  
HETATM   25  C14 UNL     1       1.486  -1.647   1.282  1.00  0.00           C  
HETATM   26  O5  UNL     1       1.112  -2.286   0.088  1.00  0.00           O  
HETATM   27  H1  UNL     1       7.861   0.486  -2.828  1.00  0.00           H  
HETATM   28  H2  UNL     1       7.672  -1.109  -1.918  1.00  0.00           H  
HETATM   29  H3  UNL     1       5.623   3.346   0.197  1.00  0.00           H  
HETATM   30  H4  UNL     1       3.347  -2.741  -0.405  1.00  0.00           H  
HETATM   31  H5  UNL     1       2.709  -0.096   2.027  1.00  0.00           H  
HETATM   32  H6  UNL     1      -0.283  -0.197  -0.100  1.00  0.00           H  
HETATM   33  H7  UNL     1      -0.180   1.756   2.305  1.00  0.00           H  
HETATM   34  H8  UNL     1      -0.730   2.142   0.608  1.00  0.00           H  
HETATM   35  H9  UNL     1      -3.624   1.560  -0.369  1.00  0.00           H  
HETATM   36  H10 UNL     1      -2.918  -0.069  -0.624  1.00  0.00           H  
HETATM   37  H11 UNL     1      -4.682  -1.021   0.957  1.00  0.00           H  
HETATM   38  H12 UNL     1      -5.310   0.626   1.203  1.00  0.00           H  
HETATM   39  H13 UNL     1      -5.224  -0.909  -1.441  1.00  0.00           H  
HETATM   40  H14 UNL     1      -7.633  -1.005  -0.932  1.00  0.00           H  
HETATM   41  H15 UNL     1      -7.299  -0.102   0.507  1.00  0.00           H  
HETATM   42  H16 UNL     1      -7.581   2.240  -0.763  1.00  0.00           H  
HETATM   43  H17 UNL     1       0.414  -0.553   2.815  1.00  0.00           H  
HETATM   44  H18 UNL     1      -1.327  -1.763   2.622  1.00  0.00           H  
HETATM   45  H19 UNL     1       1.922  -2.321   2.016  1.00  0.00           H  
HETATM   46  H20 UNL     1       1.188  -1.637  -0.676  1.00  0.00           H  
CONECT    1    2   27   28
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   29
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   30
CONECT   10   11
CONECT   11   12   25   31
CONECT   12   13
CONECT   13   14   23   32
CONECT   14   15   33   34
CONECT   15   16
CONECT   16   17   35   36
CONECT   17   18   37   38
CONECT   18   19   20   39
CONECT   19   40   41
CONECT   20   21   21   22
CONECT   22   42
CONECT   23   24   25   43
CONECT   24   44
CONECT   25   26   45
CONECT   26   46
END
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SMILES for HMDB0011117 (Se-Adenosylselenohomocysteine)

NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O
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INCHI for HMDB0011117 (Se-Adenosylselenohomocysteine)

InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13+/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC14H20N6O5Se
Average Molecular Weight431.31
Monoisotopic Molecular Weight432.066039608
IUPAC Name2-amino-4-({[(2S,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}selanyl)butanoic acid
Traditional Namese-adenosylselenohomocysteine
CAS Registry NumberNot Available
SMILES
NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O
InChI Identifier
InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13+/m1/s1
InChI KeyUVSMMLABJBJNGH-WWJIDFMMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
Class5'-deoxyribonucleosides
Sub ClassNot Available
Direct Parent5'-deoxyribonucleosides
Alternative Parents
Substituents
  • 5'-deoxyribonucleoside
  • N-glycosyl compound
  • Glycosyl compound
  • Pentose monosaccharide
  • 6-aminopurine
  • Alpha-amino acid or derivatives
  • Alpha-amino acid
  • Purine
  • Imidazopyrimidine
  • Aminopyrimidine
  • Monosaccharide
  • N-substituted imidazole
  • Imidolactam
  • Pyrimidine
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • 1,2-diol
  • Amino acid
  • Amino acid or derivatives
  • Secondary alcohol
  • Organoheterocyclic compound
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Selenoether
  • Oxacycle
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organoselenium compound
  • Primary amine
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Alcohol
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
Process
Naturally occurring process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility8.42 g/LALOGPS
logP-2.5ALOGPS
logP-5.3ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)1.31ChemAxon
pKa (Strongest Basic)9.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area182.63 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity98.04 m³·mol⁻¹ChemAxon
Polarizability36.91 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-215.13230932474
DeepCCS[M+Na]+190.29630932474
AllCCS[M+H]+188.332859911
AllCCS[M+H-H2O]+186.232859911
AllCCS[M+NH4]+190.232859911
AllCCS[M+Na]+190.832859911
AllCCS[M-H]-180.832859911
AllCCS[M+Na-2H]-180.832859911
AllCCS[M+HCOO]-181.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Se-AdenosylselenohomocysteineNC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O4021.0Standard polar33892256
Se-AdenosylselenohomocysteineNC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O3484.0Standard non polar33892256
Se-AdenosylselenohomocysteineNC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O3985.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Se-Adenosylselenohomocysteine,1TMS,isomer #1C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O3579.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3591.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,1TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3495.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,1TMS,isomer #4C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O3615.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,1TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O3610.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #1C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3408.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O)[C@H]1O3567.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #11C[Si](C)(C)N(C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O)[Si](C)(C)C3611.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #12C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C3529.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C3448.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3515.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #4C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O3503.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3409.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #6C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O3500.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3521.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #8C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C3466.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3461.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #1C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3338.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3406.5Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3473.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3525.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O3444.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3469.4Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #15C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C3526.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #16C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3425.4Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #17C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O3495.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O3611.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #2C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C3388.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3407.5Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #4C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O3381.4Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3431.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3474.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #7C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O3449.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #8C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O3519.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #9C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3393.5Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #1C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3344.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #1C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3219.8Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #1C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C5069.0Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3517.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3423.8Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5066.0Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3415.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3280.3Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4898.4Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #12C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3494.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #12C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3319.5Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #12C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5124.0Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #13C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3402.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #13C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3264.1Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #13C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4901.3Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #14C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O3432.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #14C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O3346.0Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #14C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O4650.5Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3525.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3415.9Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O5025.0Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #16C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C3432.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #16C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C3287.6Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #16C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C4659.3Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O3563.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O3372.5Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O5059.1Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #18C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C3589.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #18C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C3439.9Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #18C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C4820.0Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3388.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3240.8Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5217.8Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3420.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3286.5Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4945.6Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C3484.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C3325.8Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C5148.4Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3410.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3266.7Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4929.6Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3415.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3335.8Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4987.2Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C3427.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C3361.9Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C5162.2Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3399.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3315.0Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C5074.7Standard polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #9C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O3434.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #9C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O3352.0Standard non polar33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #9C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O4697.4Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3418.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3291.6Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #1C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4565.4Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3549.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3366.8Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4635.8Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O3574.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O3415.9Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4390.7Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #12C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C3581.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #12C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C3375.0Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #12C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C4425.0Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #2C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3463.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #2C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3305.0Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #2C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4929.6Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3414.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3232.3Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4680.4Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #4C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C3431.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #4C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C3267.5Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #4C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C4273.9Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3542.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3369.7Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4678.7Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #6C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O3413.4Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #6C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O3325.2Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #6C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O4318.6Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3493.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3413.3Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4692.1Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #8C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O3567.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #8C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O3418.1Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #8C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O4433.2Standard polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #9C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3425.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #9C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3267.0Standard non polar33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #9C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C4228.2Standard polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #1C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3458.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #1C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3262.1Standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #1C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3978.8Standard polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3556.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3372.8Standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4383.1Standard polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #3C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C3601.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #3C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C3344.0Standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #3C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C4107.8Standard polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3568.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3385.8Standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C4125.7Standard polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #5C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3607.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #5C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3343.3Standard non polar33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #5C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4062.0Standard polar33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O3804.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O3809.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3759.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O3847.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O3825.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3913.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)[C@H]1O4012.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O)[Si](C)(C)C(C)(C)C4064.4Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C3941.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C3928.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3948.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O3972.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3914.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3966.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3942.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3934.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3921.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4033.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4042.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4097.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4216.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O4080.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4069.5Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4174.0Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4029.4Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O4118.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4236.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C4044.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4050.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O4058.7Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4072.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4100.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O4083.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O4206.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4040.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4137.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3902.3Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C5054.3Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4347.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4092.7Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4981.2Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4183.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4004.8Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4848.8Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4305.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3987.5Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5067.1Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4179.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4007.2Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4852.0Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O4233.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O4067.7Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O4654.3Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4357.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4087.2Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4947.7Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C4179.4Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C4033.9Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C4646.6Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4323.1Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4072.2Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4970.6Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C4392.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C4129.2Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C4758.0Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[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)C4187.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[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)C3972.3Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[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)C5127.5Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4190.6Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4011.7Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4884.6Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4300.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3996.2Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5087.7Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4180.3Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4013.1Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4875.4Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4209.2Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4037.2Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4928.2Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4311.9Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C3994.3Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C5107.3Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4217.8Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4028.7Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4981.5Standard polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O4230.5Semi standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O4072.8Standard non polar33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O4688.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosylselenohomocysteine GC-MS (Non-derivatized) - 70eV, Positivesplash10-056u-9830100000-9398a270ed78175f17052017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosylselenohomocysteine GC-MS (3 TMS) - 70eV, Positivesplash10-01sl-7193006000-d4458f7312a9f90f4d532017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosylselenohomocysteine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Positive-QTOFsplash10-001r-2215900000-7e601876a6e583c0ee502017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Positive-QTOFsplash10-000i-0900000000-a2ed12145690d087807e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Positive-QTOFsplash10-00li-2900000000-b8810141b211eaa353c82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Negative-QTOFsplash10-001i-0903100000-b28f2e6b623cc31f8acd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Negative-QTOFsplash10-001i-0900100000-f2ce8f9f27533d01a6c22017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Negative-QTOFsplash10-001i-1900000000-618dd770fa6039b2346a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Negative-QTOFsplash10-001i-0009100000-8e90a085d0f721adde422021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Negative-QTOFsplash10-001i-0419000000-9024f64ac25c2668cf192021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Negative-QTOFsplash10-001i-0901000000-47dd6d99ed121a91f5522021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Positive-QTOFsplash10-001i-0000900000-a7089db8158cdf40e75e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Positive-QTOFsplash10-000i-1927300000-1af2b38820888905de0b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Positive-QTOFsplash10-000i-1900000000-55e9a6584f636b7347652021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB027899
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound16682731
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDSEAHCYS
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. Protein arginine N-methyltransferase 3
General function:
Involved in protein methyltransferase activity
Specific function:
Methylates (mono and asymmetric dimethylation) the guanidino nitrogens of arginyl residues in some proteins
Gene Name:
PRMT3
Uniprot ID:
O60678
Molecular weight:
59902.7
Enzyme Details
2. Putative adenosylhomocysteinase 3
General function:
Involved in adenosylhomocysteinase activity
Specific function:
Not Available
Gene Name:
AHCYL2
Uniprot ID:
Q96HN2
Molecular weight:
66592.445
Reactions
Se-Adenosylselenohomocysteine + Water → Adenosine + Selenohomocysteinedetails
Enzyme Details
3. Adenosylhomocysteinase
General function:
Involved in adenosylhomocysteinase activity
Specific function:
Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine.
Gene Name:
AHCY
Uniprot ID:
P23526
Molecular weight:
47715.715
Reactions
Se-Adenosylselenohomocysteine + Water → Adenosine + Selenohomocysteinedetails
Enzyme Details
4. Putative adenosylhomocysteinase 2
General function:
Involved in adenosylhomocysteinase activity
Specific function:
Not Available
Gene Name:
AHCYL1
Uniprot ID:
O43865
Molecular weight:
53753.0
Reactions
Se-Adenosylselenohomocysteine + Water → Adenosine + Selenohomocysteinedetails
Enzyme Details
5. HemK methyltransferase family member 1
General function:
Not Available
Specific function:
N5-glutamine methyltransferase responsible for the methylation of the GGQ triplet of the mitochondrial translation release factor MTRF1L.
Gene Name:
HEMK1
Uniprot ID:
Q9Y5R4
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails
Enzyme Details
6. Methyltransferase-like protein 2B
General function:
Not Available
Specific function:
Probable methyltransferase (By similarity).
Gene Name:
METTL2B
Uniprot ID:
Q6P1Q9
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails
Enzyme Details
7. Methyltransferase-like protein 6
General function:
Not Available
Specific function:
Probable methyltransferase (By similarity).
Gene Name:
METTL6
Uniprot ID:
Q8TCB7
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails
Enzyme Details
8. Uncharacterized methyltransferase WBSCR22
General function:
Not Available
Specific function:
Methyltransferase that may act on DNA.
Gene Name:
WBSCR22
Uniprot ID:
O43709
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails