Coenzyme A, S-(hydrogen butanedioate), sodium salt

CAS Registry Number®

108347-97-3

CAS Name

Coenzyme A, S-(hydrogen butanedioate), sodium salt

Molecular Formula

C25H40N7O19P3S.xNa

Cite this Page

Coenzyme A, S-(hydrogen butanedioate), sodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108347-97-3 (retrieved 2024-11-27) (CAS RN: 108347-97-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H40N7O19P3S.Na/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32;/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42);/t13-,18-,19-,20+,24-;/m1./s1

InChIKey

InChIKey=MZSOFLIDFHDGAA-YXKORUMSSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O.[Na]

Canonical SMILES

[Na].O=C(O)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O

Other Names for this Substance

  • Coenzyme A, S-(hydrogen butanedioate), sodium salt

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