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enzymes (1) Show 1 protein

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-10-30 10:32:48 UTC

Update Date

2022-03-07 03:17:33 UTC

HMDB ID

HMDB0059599

Secondary Accession Numbers

HMDB59599

Metabolite Identification

Common Name

CDP-glycerol

Description

CDP-glycerol, also known as CDP glycerols, belongs to the class of organic compounds known as cdp-glycerols. These are glycerolipids with a cytidine diphosphate attached to the oxygen O1 or O2 of the glycerol part. As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 atoms. CDP-glycerol is a strong basic compound (based on its pKa).

Structure

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


  Mrv0541 06301311532D          

 30 31  0  0  0  0            999 V2000
   16.6588   -4.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8383   -4.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9463   -4.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3752   -4.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6621   -4.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6608   -4.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3765   -4.7642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1437   -4.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4628   -5.5846    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2697   -5.7562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6822   -5.0417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9877   -5.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9642   -4.6967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8081   -5.5367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5027   -4.9555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2318   -4.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6608   -5.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8497   -6.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6053   -6.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6521   -6.3766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -3.6372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -5.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6456   -3.6372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206   -5.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0897   -4.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9476   -4.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1302   -4.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5187   -3.9392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -4.3517    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.2331   -4.3517    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  1  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15  2  1  0  0  0  0
 11 15  1  1  0  0  0
 15 12  1  0  0  0  0
 16  3  1  0  0  0  0
 17  6  1  0  0  0  0
  9 18  1  6  0  0  0
 10 19  1  6  0  0  0
 20 12  1  0  0  0  0
 25  4  1  0  0  0  0
 26  5  1  0  0  0  0
 27  7  1  0  0  0  0
 27 11  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  2  0  0  0  0
 29 25  1  0  0  0  0
 29 28  1  0  0  0  0
 30 23  1  0  0  0  0
 30 24  2  0  0  0  0
 30 26  1  0  0  0  0
 30 28  1  0  0  0  0
M  END

HMDB0059599
     RDKit          3D
CDP-glycerol
 51 52  0  0  0  0  0  0  0  0999 V2000
    8.7594    0.6489    0.9144 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5359    0.4950    0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5107    0.2019    1.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    0.0546    0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9569    0.1905   -0.4342 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6462    0.0461   -0.9988 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7881    1.0540   -0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    0.6421   -0.8235 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5738    1.0212    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149    0.5714    0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641    0.9778    1.2971 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9305    1.4191    2.4780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7822    2.2515    0.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6653   -0.3640    1.8071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596   -1.2577    0.5118 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.7499   -2.6885    0.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8376   -0.5455   -0.9560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9400   -1.3249    0.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4577   -0.0776    1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9653   -0.2031    1.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3281   -1.1721    2.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5396   -0.6239   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2054    0.3158   -1.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988   -0.8649   -0.9398 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4733   -1.2330   -2.2892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170   -1.1883   -0.4496 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4169   -2.3303   -1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848    0.4790   -1.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8107    0.6397   -2.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2445    0.6268   -0.7759 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5115    0.8721    0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    0.0936    2.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381   -0.1756    1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755   -0.1069   -2.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0779    1.0907   -1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900    0.5136    1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986    2.1140    0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8983    2.2896   -0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6402   -0.1315   -1.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1642    0.6388    0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0551    0.2024    2.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3797    0.7845    1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9010   -0.8391    2.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6272   -0.8074   -0.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0865   -1.5838   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3155    0.1245   -1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348   -1.3566   -0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758   -0.6150   -2.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9385   -1.2149    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3023   -2.1540   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4823    1.5314   -3.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
  8 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  5 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 26  6  1  0
  1 31  1  0
  3 32  1  0
  4 33  1  0
  6 34  1  6
  8 35  1  6
  9 36  1  0
  9 37  1  0
 13 38  1  0
 17 39  1  0
 19 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  1
 25 48  1  0
 26 49  1  1
 27 50  1  0
 29 51  1  0
M  END


  Mrv0541 06301311532D          

 30 31  0  0  0  0            999 V2000
   16.6588   -4.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8383   -4.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9463   -4.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3752   -4.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6621   -4.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6608   -4.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3765   -4.7642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1437   -4.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4628   -5.5846    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2697   -5.7562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6822   -5.0417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9877   -5.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9642   -4.6967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8081   -5.5367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5027   -4.9555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2318   -4.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6608   -5.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8497   -6.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6053   -6.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6521   -6.3766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -3.6372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -5.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6456   -3.6372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206   -5.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0897   -4.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9476   -4.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1302   -4.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5187   -3.9392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -4.3517    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.2331   -4.3517    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  1  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15  2  1  0  0  0  0
 11 15  1  1  0  0  0
 15 12  1  0  0  0  0
 16  3  1  0  0  0  0
 17  6  1  0  0  0  0
  9 18  1  6  0  0  0
 10 19  1  6  0  0  0
 20 12  1  0  0  0  0
 25  4  1  0  0  0  0
 26  5  1  0  0  0  0
 27  7  1  0  0  0  0
 27 11  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  2  0  0  0  0
 29 25  1  0  0  0  0
 29 28  1  0  0  0  0
 30 23  1  0  0  0  0
 30 24  2  0  0  0  0
 30 26  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0059599

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC(O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=N)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6?,7-,9-,10-,11-/m1/s1

> <INCHI_KEY>
HHPOUCCVONEPRK-JANFQQFMSA-N

> <FORMULA>
C12H21N3O13P2

> <MOLECULAR_WEIGHT>
477.255

> <EXACT_MASS>
477.054960797

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
39.3117063002003

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](2,3-dihydroxypropoxy)phosphinic acid

> <ALOGPS_LOGP>
-2.00

> <JCHEM_LOGP>
-4.244904802955526

> <ALOGPS_LOGS>
-1.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.5446881920674165

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7746851799319234

> <JCHEM_PKA_STRONGEST_BASIC>
3.3446386965457173

> <JCHEM_POLAR_SURFACE_AREA>
252.11999999999995

> <JCHEM_REFRACTIVITY>
104.44019999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.98e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cdpglycerol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0059599
     RDKit          3D
CDP-glycerol
 51 52  0  0  0  0  0  0  0  0999 V2000
    8.7594    0.6489    0.9144 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5359    0.4950    0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5107    0.2019    1.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    0.0546    0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9569    0.1905   -0.4342 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6462    0.0461   -0.9988 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7881    1.0540   -0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    0.6421   -0.8235 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5738    1.0212    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149    0.5714    0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641    0.9778    1.2971 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9305    1.4191    2.4780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7822    2.2515    0.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6653   -0.3640    1.8071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596   -1.2577    0.5118 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.7499   -2.6885    0.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8376   -0.5455   -0.9560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9400   -1.3249    0.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4577   -0.0776    1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9653   -0.2031    1.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3281   -1.1721    2.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5396   -0.6239   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2054    0.3158   -1.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988   -0.8649   -0.9398 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4733   -1.2330   -2.2892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170   -1.1883   -0.4496 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4169   -2.3303   -1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848    0.4790   -1.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8107    0.6397   -2.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2445    0.6268   -0.7759 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5115    0.8721    0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    0.0936    2.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381   -0.1756    1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755   -0.1069   -2.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0779    1.0907   -1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900    0.5136    1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986    2.1140    0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8983    2.2896   -0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6402   -0.1315   -1.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1642    0.6388    0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0551    0.2024    2.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3797    0.7845    1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9010   -0.8391    2.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6272   -0.8074   -0.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0865   -1.5838   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3155    0.1245   -1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348   -1.3566   -0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758   -0.6150   -2.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9385   -1.2149    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3023   -2.1540   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4823    1.5314   -3.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
  8 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  5 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 26  6  1  0
  1 31  1  0
  3 32  1  0
  4 33  1  0
  6 34  1  6
  8 35  1  6
  9 36  1  0
  9 37  1  0
 13 38  1  0
 17 39  1  0
 19 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  1
 25 48  1  0
 26 49  1  1
 27 50  1  0
 29 51  1  0
M  END

HEADER    PROTEIN                                 30-JUN-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUN-13         0                                  
HETATM    1  C   UNK     0      31.096  -7.682   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      29.565  -7.843   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.966  -8.123   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.634  -8.123   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      23.636  -8.123   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.300  -8.893   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      24.969  -8.893   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      32.002  -8.928   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      25.131 -10.425   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      26.637 -10.745   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      27.407  -9.411   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      29.844 -10.496   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      33.533  -8.767   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      31.375 -10.335   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      28.938  -9.250   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      11.633  -8.893   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      14.300 -10.433   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      23.986 -11.455   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      27.263 -12.152   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      29.217 -11.903   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      17.531  -6.789   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      19.071  -9.457   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      21.738  -6.789   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      20.198  -9.457   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      16.967  -8.893   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      22.302  -8.893   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      26.376  -8.267   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      19.635  -7.353   0.000  0.00  0.00           O+0
HETATM   29  P   UNK     0      18.301  -8.123   0.000  0.00  0.00           P+0
HETATM   30  P   UNK     0      20.968  -8.123   0.000  0.00  0.00           P+0
CONECT    1    2    8                                                       
CONECT    2    1   15                                                       
CONECT    3    6   16                                                       
CONECT    4    6   25                                                       
CONECT    5    7   26                                                       
CONECT    6    3    4   17                                                  
CONECT    7    5    9   27                                                  
CONECT    8    1   13   14                                                  
CONECT    9    7   10   18                                                  
CONECT   10    9   11   19                                                  
CONECT   11   10   15   27                                                  
CONECT   12   14   15   20                                                  
CONECT   13    8                                                            
CONECT   14    8   12                                                       
CONECT   15    2   11   12                                                  
CONECT   16    3                                                            
CONECT   17    6                                                            
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   12                                                            
CONECT   21   29                                                            
CONECT   22   29                                                            
CONECT   23   30                                                            
CONECT   24   30                                                            
CONECT   25    4   29                                                       
CONECT   26    5   30                                                       
CONECT   27    7   11                                                       
CONECT   28   29   30                                                       
CONECT   29   21   22   25   28                                             
CONECT   30   23   24   26   28                                             
MASTER        0    0    0    0    0    0    0    0   30    0   62    0
END

COMPND    HMDB0059599
HETATM    1  N1  UNL     1       8.759   0.649   0.914  1.00  0.00           N  
HETATM    2  C1  UNL     1       7.536   0.495   0.527  1.00  0.00           C  
HETATM    3  C2  UNL     1       6.511   0.202   1.381  1.00  0.00           C  
HETATM    4  C3  UNL     1       5.228   0.055   0.873  1.00  0.00           C  
HETATM    5  N2  UNL     1       4.957   0.191  -0.434  1.00  0.00           N  
HETATM    6  C4  UNL     1       3.646   0.046  -0.999  1.00  0.00           C  
HETATM    7  O1  UNL     1       2.788   1.054  -0.618  1.00  0.00           O  
HETATM    8  C5  UNL     1       1.499   0.642  -0.823  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.574   1.021   0.321  1.00  0.00           C  
HETATM   10  O2  UNL     1      -0.715   0.571   0.044  1.00  0.00           O  
HETATM   11  P1  UNL     1      -1.764   0.978   1.297  1.00  0.00           P  
HETATM   12  O3  UNL     1      -0.931   1.419   2.478  1.00  0.00           O  
HETATM   13  O4  UNL     1      -2.782   2.251   0.840  1.00  0.00           O  
HETATM   14  O5  UNL     1      -2.665  -0.364   1.807  1.00  0.00           O  
HETATM   15  P2  UNL     1      -3.260  -1.258   0.512  1.00  0.00           P  
HETATM   16  O6  UNL     1      -2.750  -2.689   0.546  1.00  0.00           O  
HETATM   17  O7  UNL     1      -2.838  -0.545  -0.956  1.00  0.00           O  
HETATM   18  O8  UNL     1      -4.940  -1.325   0.653  1.00  0.00           O  
HETATM   19  C7  UNL     1      -5.458  -0.078   1.058  1.00  0.00           C  
HETATM   20  C8  UNL     1      -6.965  -0.203   1.166  1.00  0.00           C  
HETATM   21  O9  UNL     1      -7.328  -1.172   2.095  1.00  0.00           O  
HETATM   22  C9  UNL     1      -7.540  -0.624  -0.190  1.00  0.00           C  
HETATM   23  O10 UNL     1      -7.205   0.316  -1.161  1.00  0.00           O  
HETATM   24  C10 UNL     1       1.499  -0.865  -0.940  1.00  0.00           C  
HETATM   25  O11 UNL     1       1.473  -1.233  -2.289  1.00  0.00           O  
HETATM   26  C11 UNL     1       2.917  -1.188  -0.450  1.00  0.00           C  
HETATM   27  O12 UNL     1       3.417  -2.330  -1.032  1.00  0.00           O  
HETATM   28  C12 UNL     1       5.985   0.479  -1.252  1.00  0.00           C  
HETATM   29  O13 UNL     1       5.811   0.640  -2.619  1.00  0.00           O  
HETATM   30  N3  UNL     1       7.245   0.627  -0.776  1.00  0.00           N  
HETATM   31  H1  UNL     1       9.512   0.872   0.229  1.00  0.00           H  
HETATM   32  H2  UNL     1       6.739   0.094   2.437  1.00  0.00           H  
HETATM   33  H3  UNL     1       4.438  -0.176   1.564  1.00  0.00           H  
HETATM   34  H4  UNL     1       3.675  -0.107  -2.096  1.00  0.00           H  
HETATM   35  H5  UNL     1       1.078   1.091  -1.752  1.00  0.00           H  
HETATM   36  H6  UNL     1       0.890   0.514   1.263  1.00  0.00           H  
HETATM   37  H7  UNL     1       0.599   2.114   0.516  1.00  0.00           H  
HETATM   38  H8  UNL     1      -2.898   2.290  -0.162  1.00  0.00           H  
HETATM   39  H9  UNL     1      -3.640  -0.131  -1.353  1.00  0.00           H  
HETATM   40  H10 UNL     1      -5.164   0.639   0.269  1.00  0.00           H  
HETATM   41  H11 UNL     1      -5.055   0.202   2.041  1.00  0.00           H  
HETATM   42  H12 UNL     1      -7.380   0.784   1.429  1.00  0.00           H  
HETATM   43  H13 UNL     1      -7.901  -0.839   2.816  1.00  0.00           H  
HETATM   44  H14 UNL     1      -8.627  -0.807  -0.116  1.00  0.00           H  
HETATM   45  H15 UNL     1      -7.086  -1.584  -0.517  1.00  0.00           H  
HETATM   46  H16 UNL     1      -6.315   0.125  -1.546  1.00  0.00           H  
HETATM   47  H17 UNL     1       0.735  -1.357  -0.342  1.00  0.00           H  
HETATM   48  H18 UNL     1       0.976  -0.615  -2.850  1.00  0.00           H  
HETATM   49  H19 UNL     1       2.939  -1.215   0.656  1.00  0.00           H  
HETATM   50  H20 UNL     1       4.302  -2.154  -1.449  1.00  0.00           H  
HETATM   51  H21 UNL     1       5.482   1.531  -3.010  1.00  0.00           H  
CONECT    1    2    2   31
CONECT    2    3   30
CONECT    3    4    4   32
CONECT    4    5   33
CONECT    5    6   28
CONECT    6    7   26   34
CONECT    7    8
CONECT    8    9   24   35
CONECT    9   10   36   37
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   38
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   39
CONECT   18   19
CONECT   19   20   40   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44   45
CONECT   23   46
CONECT   24   25   26   47
CONECT   25   48
CONECT   26   27   49
CONECT   27   50
CONECT   28   29   30   30
CONECT   29   51
END

HMDB0059599
     RDKit          3D
CDP-glycerol
 51 52  0  0  0  0  0  0  0  0999 V2000
    8.7594    0.6489    0.9144 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5359    0.4950    0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5107    0.2019    1.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    0.0546    0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9569    0.1905   -0.4342 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6462    0.0461   -0.9988 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7881    1.0540   -0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    0.6421   -0.8235 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5738    1.0212    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149    0.5714    0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641    0.9778    1.2971 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9305    1.4191    2.4780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7822    2.2515    0.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6653   -0.3640    1.8071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596   -1.2577    0.5118 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.7499   -2.6885    0.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8376   -0.5455   -0.9560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9400   -1.3249    0.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4577   -0.0776    1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9653   -0.2031    1.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3281   -1.1721    2.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5396   -0.6239   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2054    0.3158   -1.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988   -0.8649   -0.9398 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4733   -1.2330   -2.2892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170   -1.1883   -0.4496 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4169   -2.3303   -1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848    0.4790   -1.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8107    0.6397   -2.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2445    0.6268   -0.7759 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5115    0.8721    0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    0.0936    2.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381   -0.1756    1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755   -0.1069   -2.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0779    1.0907   -1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900    0.5136    1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986    2.1140    0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8983    2.2896   -0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6402   -0.1315   -1.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1642    0.6388    0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0551    0.2024    2.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3797    0.7845    1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9010   -0.8391    2.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6272   -0.8074   -0.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0865   -1.5838   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3155    0.1245   -1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348   -1.3566   -0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758   -0.6150   -2.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9385   -1.2149    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3023   -2.1540   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4823    1.5314   -3.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
  8 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  5 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 26  6  1  0
  1 31  1  0
  3 32  1  0
  4 33  1  0
  6 34  1  6
  8 35  1  6
  9 36  1  0
  9 37  1  0
 13 38  1  0
 17 39  1  0
 19 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  1
 25 48  1  0
 26 49  1  1
 27 50  1  0
 29 51  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Cytidine diphosphate glycerol, (R)-isomer	MeSH
Cytidine diphosphate glycerol	MeSH
CDP Glycerols	MeSH

Chemical Formula

C₁₂H₂₁N₃O₁₃P₂

Average Molecular Weight

477.255

Monoisotopic Molecular Weight

477.054960797

IUPAC Name

[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](2,3-dihydroxypropoxy)phosphinic acid

Traditional Name

cdpglycerol

CAS Registry Number

Not Available

SMILES

OCC(O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=N)N=C1O

InChI Identifier

InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6?,7-,9-,10-,11-/m1/s1

InChI Key

HHPOUCCVONEPRK-JANFQQFMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cdp-glycerols. These are glycerolipids with a cytidine diphosphate attached to the oxygen O1 or O2 of the glycerol part. As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

CDP-glycerols

Direct Parent

CDP-glycerols

Alternative Parents

Substituents

Cdp-glycerol
Pyrimidine ribonucleoside diphosphate
Pentose-5-phosphate
Pentose phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Phosphoric acid ester
Monosaccharide
Alkyl phosphate
Imidolactam
Pyrimidine
Organic phosphoric acid derivative
Tetrahydrofuran
Heteroaromatic compound
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Primary amine
Organic nitrogen compound
Amine
Alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

nucleotide-alditol (CHEBI:17885 )

Ontology

Physiological effect

Organoleptic effect

Touch

Smooth (HMDB: HMDB0059599)

Disposition

Biological location

Biofluid or Excreta

Blood (HMDB: HMDB0059599)

Cell membrane (HMDB: HMDB0059599)
Intracellular membrane (HMDB: HMDB0059599)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0059599)

Source

Endogenous

Endogenous (HMDB: HMDB0059599)

Animal

Animal (HMDB: HMDB0059599)

Exogenous

Food

Food (HMDB: HMDB0059599)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0059599)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0059599)

Biochemical pathway

Glycerophospholipid metabolism (HMDB: HMDB0059599)

Role

Biological role

Energy source (HMDB: HMDB0059599)

Industrial application

Food and nutrition

Food additive

Nutritional supplement

Nutritional supplement (HMDB: HMDB0059599)

Food additive (HMDB: HMDB0059599)

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0059599)

Emulsifier (HMDB: HMDB0059599)

Physical Properties

State

Solid

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	8.98 g/L	ALOGPS
logP	-2	ALOGPS
logP	-4.2	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
pKa (Strongest Basic)	3.34	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	252.12 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	104.44 m³·mol⁻¹	ChemAxon
Polarizability	39.31 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	208.596	31661259
DarkChem	[M-H]-	198.3	31661259
DeepCCS	[M+H]+	171.224	30932474
DeepCCS	[M-H]-	169.381	30932474
DeepCCS	[M-2H]-	202.617	30932474
DeepCCS	[M+Na]+	176.944	30932474
AllCCS	[M+H]+	196.0	32859911
AllCCS	[M+H-H2O]+	194.2	32859911
AllCCS	[M+NH4]+	197.7	32859911
AllCCS	[M+Na]+	198.2	32859911
AllCCS	[M-H]-	192.3	32859911
AllCCS	[M+Na-2H]-	192.8	32859911
AllCCS	[M+HCOO]-	193.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
CDP-glycerol	OCC(O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=N)N=C1O	5381.0	Standard polar	33892256
CDP-glycerol	OCC(O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=N)N=C1O	3060.9	Standard non polar	33892256
CDP-glycerol	OCC(O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=N)N=C1O	4032.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
CDP-glycerol,1TMS,isomer #1	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	3877.9	Semi standard non polar	33892256
CDP-glycerol,1TMS,isomer #2	C[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	3894.5	Semi standard non polar	33892256
CDP-glycerol,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)O[C@H]1N1C=CC(=N)N=C1O	3856.6	Semi standard non polar	33892256
CDP-glycerol,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O	3852.0	Semi standard non polar	33892256
CDP-glycerol,1TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]1O	3807.1	Semi standard non polar	33892256
CDP-glycerol,1TMS,isomer #6	C[Si](C)(C)OP(=O)(OCC(O)CO)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	3912.2	Semi standard non polar	33892256
CDP-glycerol,1TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)OP(=O)(O)OCC(O)CO	3908.7	Semi standard non polar	33892256
CDP-glycerol,1TMS,isomer #8	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)C(O)=N1	3877.1	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3833.0	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #10	C[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C	3792.3	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #11	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	3844.8	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #12	C[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3841.3	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #13	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3810.8	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O[Si](C)(C)C	3746.7	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #15	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]1O[Si](C)(C)C	3703.5	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)O[C@H]1N1C=CC(=N)N=C1O	3807.7	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)O[C@H]1N1C=CC(=N)N=C1O	3812.0	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #18	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3734.5	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #19	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]1O	3710.7	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #2	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O	3732.2	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O	3808.6	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O	3811.5	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #22	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3731.4	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #23	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]1O	3771.5	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #24	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3775.3	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #25	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3733.3	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #26	C[Si](C)(C)OP(=O)(OCC(O)CO)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3858.9	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #27	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3787.1	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #28	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)C(O)=N1	3781.4	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #3	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O	3764.7	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #4	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C	3769.6	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #5	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	3826.6	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #6	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3822.2	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3745.7	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #8	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3761.7	Semi standard non polar	33892256
CDP-glycerol,2TMS,isomer #9	C[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O	3789.2	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3667.9	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #10	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3669.0	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3595.9	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #12	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3659.0	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #13	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O	3699.9	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #14	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3699.8	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #15	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3617.4	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #16	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C	3708.4	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #17	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3707.2	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #18	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3611.6	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #19	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3763.7	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #2	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3698.2	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #20	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3659.2	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #21	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3654.5	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #22	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3644.0	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #23	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3639.0	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #24	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3690.4	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #25	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3692.6	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #26	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3639.9	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #27	C[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3678.2	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #28	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O	3721.8	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #29	C[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3721.0	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #3	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3705.7	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #30	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3652.6	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #31	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C	3728.5	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #32	C[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3727.7	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #33	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3647.5	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #34	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3779.0	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #35	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3689.5	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #36	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3687.6	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #37	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3613.3	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O[Si](C)(C)C	3705.7	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O[Si](C)(C)C	3705.8	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #4	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3758.3	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #40	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3610.9	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #41	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]1O[Si](C)(C)C	3657.9	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #42	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3656.4	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #43	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3588.5	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)O[C@H]1N1C=CC(=N)N=C1O	3752.8	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #45	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3653.8	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #46	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3655.7	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #47	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]1O	3664.6	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #48	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3662.5	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #49	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3587.7	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #5	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[Si](C)(C)C	3753.4	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #50	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O	3758.2	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #51	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3651.9	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #52	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3652.5	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #53	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3711.2	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #54	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3632.6	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #55	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3635.1	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #56	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3702.0	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #6	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3675.1	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #7	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	3620.7	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #8	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	3626.4	Semi standard non polar	33892256
CDP-glycerol,3TMS,isomer #9	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O	3671.7	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3591.0	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #10	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3662.1	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #11	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3660.7	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #12	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3582.2	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #13	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[Si](C)(C)C	3694.7	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #14	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3611.8	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #15	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3606.4	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #16	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3567.2	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #17	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	3595.0	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #18	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3593.2	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #19	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3516.8	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #2	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3599.7	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #20	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	3600.2	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #21	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3599.1	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #22	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3523.4	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #23	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3629.2	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #24	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3551.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #25	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3547.8	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #26	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3635.5	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #27	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3637.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #28	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3548.1	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #29	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3672.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #3	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3620.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #30	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3580.4	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #31	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3581.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #32	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3676.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #33	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3583.2	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #34	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3584.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #35	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3612.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #36	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3578.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #37	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3611.7	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #38	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3612.1	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #39	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3552.7	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #4	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[Si](C)(C)C	3615.9	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #40	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3606.5	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #41	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3607.8	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #42	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3548.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #43	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3643.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #44	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3584.5	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #45	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3588.1	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #46	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3643.9	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #47	C[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3644.9	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #48	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3574.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #49	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3682.4	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #5	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3552.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #50	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3603.1	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #51	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3602.4	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #52	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3686.1	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #53	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3604.7	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #54	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3605.9	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #55	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3638.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #56	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3589.2	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #57	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3586.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #58	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3506.7	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #59	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O[Si](C)(C)C	3661.8	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #6	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3631.2	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #60	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3572.2	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #61	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3569.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #62	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3624.9	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #63	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3549.9	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #64	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3551.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #65	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3608.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #66	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3627.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #67	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3555.7	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #68	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3555.5	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #69	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3610.6	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #7	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3655.3	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #70	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3590.4	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #8	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C)O[Si](C)(C)C	3653.0	Semi standard non polar	33892256
CDP-glycerol,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3578.8	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3551.4	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #10	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3525.7	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #11	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3609.2	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #12	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3608.7	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #13	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3531.2	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #14	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C)O[Si](C)(C)C	3623.0	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #15	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3557.3	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #16	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3555.1	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #17	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3626.0	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #18	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3558.2	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #19	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3557.0	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #2	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3555.2	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #20	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	3580.9	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #21	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3542.2	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #22	C[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3543.4	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #23	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3480.3	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #24	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3563.5	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #25	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3515.3	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #26	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3515.3	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #27	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3573.3	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #28	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3520.3	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #29	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3520.4	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #3	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C)O[Si](C)(C)C	3553.8	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #30	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3543.2	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #31	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3610.8	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #32	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3539.4	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #33	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3542.5	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #34	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3572.7	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #35	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3574.6	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #36	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3554.8	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #37	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3552.7	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #38	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3497.5	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #39	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3581.0	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3498.9	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #40	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3536.6	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #41	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3536.9	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #42	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3574.7	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #43	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3532.5	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #44	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3533.4	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #45	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3565.8	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #46	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3617.3	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #47	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3551.7	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #48	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3555.7	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #49	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O)=N1	3587.3	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #5	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3565.4	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #50	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O)=N1	3587.2	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #51	C[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3562.1	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #52	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3498.2	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #53	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3497.4	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #54	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=N1	3559.6	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #55	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3539.3	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #56	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3545.7	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #6	C[Si](C)(C)OCC(COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3564.7	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=N1	3503.4	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #8	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[Si](C)(C)C	3576.9	Semi standard non polar	33892256
CDP-glycerol,5TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C)=N1	3530.6	Semi standard non polar	33892256
CDP-glycerol,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	4121.7	Semi standard non polar	33892256
CDP-glycerol,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	4141.5	Semi standard non polar	33892256
CDP-glycerol,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)O[C@H]1N1C=CC(=N)N=C1O	4118.4	Semi standard non polar	33892256
CDP-glycerol,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O	4112.7	Semi standard non polar	33892256
CDP-glycerol,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]1O	4048.4	Semi standard non polar	33892256
CDP-glycerol,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(OCC(O)CO)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	4175.5	Semi standard non polar	33892256
CDP-glycerol,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)OP(=O)(O)OCC(O)CO	4171.5	Semi standard non polar	33892256
CDP-glycerol,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)C(O)=N1	4129.1	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4253.0	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4227.1	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	4282.7	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4279.6	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	4190.8	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4183.6	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4147.8	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)O[C@H]1N1C=CC(=N)N=C1O	4259.5	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(=N)N=C1O	4262.6	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=N1	4159.1	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4144.1	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	4159.2	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O	4259.3	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O	4261.9	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=N1	4147.2	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]1O	4190.3	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4195.5	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=N1	4121.0	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OP(=O)(OCC(O)CO)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4305.3	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	4208.8	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)C(O)=N1	4203.7	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4211.8	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4208.0	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O	4265.3	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4261.1	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	4161.0	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4177.4	Semi standard non polar	33892256
CDP-glycerol,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4229.9	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4295.2	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4281.7	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=N1	4184.8	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4289.3	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4327.8	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4326.9	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=N1	4203.7	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4330.2	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4328.6	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=N1	4195.5	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4366.9	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4332.1	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	4252.5	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	4247.5	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4289.4	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4291.1	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4301.1	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4303.9	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=N1	4218.3	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4301.7	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4343.6	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4341.8	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4333.3	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=N1	4241.2	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4346.0	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4343.6	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=N1	4231.7	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4384.5	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	4280.2	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	4276.5	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4245.3	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4319.3	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4319.0	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4364.2	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=N1	4188.5	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4275.4	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4278.8	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	4180.6	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(=N)N=C1O	4360.1	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=N1	4247.4	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=N1	4249.8	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4277.4	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4280.7	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=N1	4171.4	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4359.4	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(=N)N=C2O)[C@@H]1O	4362.1	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=N1	4241.6	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=N1	4244.6	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4304.8	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC(O)CO)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=N1	4215.6	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=N1	4222.5	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	4291.6	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(O)=N1	4264.5	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4274.1	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4273.6	Semi standard non polar	33892256
CDP-glycerol,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=N)N=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	4284.5	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 - CDP-glycerol GC-MS (Non-derivatized) - 70eV, Positive	splash10-08is-3896800000-e944c3c1e73e492387d9	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glycerol GC-MS (3 TMS) - 70eV, Positive	splash10-004i-5353619000-acd5ebfdda7032a8f2ad	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glycerol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glycerol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - CDP-glycerol 10V, Positive-QTOF	splash10-03di-0900100000-1e0781e192a30cad044b	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 20V, Positive-QTOF	splash10-03di-3900000000-e6ac30484d9b7fc251f3	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 40V, Positive-QTOF	splash10-03di-8910000000-4f2d08d0cc3a2958b441	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 10V, Negative-QTOF	splash10-01u0-1511900000-59db4e37c4a81b586f3c	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 20V, Negative-QTOF	splash10-08gi-8954200000-0c5def80c959669bfe10	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 40V, Negative-QTOF	splash10-0bvl-4900000000-51b8692dabcf21d03255	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 10V, Negative-QTOF	splash10-004i-0000900000-f606162c6d39521585ba	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 20V, Negative-QTOF	splash10-004j-9213400000-c2e79b4fdd1c4ed967eb	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 40V, Negative-QTOF	splash10-004i-9324000000-35a92c1b8b0badb9d2d0	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 10V, Positive-QTOF	splash10-004i-0102900000-f932dcb47e54026b64b8	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 20V, Positive-QTOF	splash10-03fr-2974400000-a94690053258e42be285	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glycerol 40V, Positive-QTOF	splash10-01ox-1964000000-3aa8e6887bf992f35b69	2021-09-24	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

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB030719

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C00513

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

439249

PDB ID

Not Available

ChEBI ID

17885

Food Biomarker Ontology

Not Available

VMH ID

M01429

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Enzymes

Enzyme Details

1. Manganese-dependent ADP-ribose/CDP-alcohol diphosphatase

General function:: Not Available
Specific function:: Hydrolyzes ADP-ribose, IDP-ribose, CDP-glycerol, CDP-choline and CDP-ethanolamine, but not other non-reducing ADP-sugars or CDP-glucose. May be involved in immune cell signaling as suggested by the second-messenger role of ADP-ribose, which activates TRPM2 as a mediator of oxidative/nitrosative stress (By similarity).
Gene Name:: ADPRM
Uniprot ID:: Q3LIE5
Molecular weight:: 39529.105

Reactions

CDP-glycerol + Water → Cytidine monophosphate + Glycerol 3-phosphate	details

Showing metabocard for CDP-glycerol (HMDB0059599)

MOL for HMDB0059599 (CDP-glycerol)

3D MOL for HMDB0059599 (CDP-glycerol)

3D SDF for HMDB0059599 (CDP-glycerol)

3D-SDF for HMDB0059599 (CDP-glycerol)

PDB for HMDB0059599 (CDP-glycerol)

3D PDB for HMDB0059599 (CDP-glycerol)

SMILES for HMDB0059599 (CDP-glycerol)

INCHI for HMDB0059599 (CDP-glycerol)

Structure for HMDB0059599 (CDP-glycerol)

3D Structure for HMDB0059599 (CDP-glycerol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions