CDP-glycerol (Q27102700)

CDP-glycerol (English)

5 October 2016

chemical formula

C₁₂H₂₁N₃O₁₃P₂

1 reference

CDP-glycerol (English)

5 October 2016

canonical SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC(CO)O)O)O

1 reference

CDP-glycerol (English)

5 October 2016

isomeric SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCC(CO)O)O)O

1 reference

CDP-glycerol (English)

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

5 October 2016

Identifiers

InChI

1 reference

CDP-glycerol (English)

5 October 2016

2 references

CDP-glycerol (English)

CAS (formerly Chemical Abstracts Service)

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

6665-99-2

1 reference

stated in

25 January 2022

1 reference

5'-O-[{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine (English)

5 October 2016

2 references

CDP-glycerol (English)

5 October 2016

ChEBI ID

17885

mapping relation type

2 references

CDP-glycerol (English)

5 October 2016

International Chemical Identifier

InChI

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

1 reference

1 reference

Human Metabolome Database ID

HMDB0059599

2 references

based on heuristic

inferred from InChIKey