Nom: coenzyme A disodium salt

SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.[Na].[Na]

Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O.[Na].[Na]

Formule moléculaire: C21H36N7Na2O16P3S

Masse molaire: 813.50

InChIKey: OFKIJDNKLLFKIM-CLVRNSBASA-N

InChI:

InChI=1S/C21H36N7O16P3S.2Na/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;/t11-,14-,15-,16+,20-;;/m1../s1

PubChem CID: 86643215 →

Synonymes

coenzyme A disodium saltOFKIJDNKLLFKIM-CLVRNSBASA-N

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