Coenzyme A, S-(6-hydrogen 2-hexenedioate)

CAS Registry Number®

138149-18-5

CAS Name

Coenzyme A, S-(6-hydrogen 2-hexenedioate)

Molecular Formula

C27H42N7O19P3S

Molecular Mass

893.64

Cite this Page

Coenzyme A, S-(6-hydrogen 2-hexenedioate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=138149-18-5 (retrieved 2024-11-12) (CAS RN: 138149-18-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,20-,21-,22+,26-/m1/s1

InChIKey

InChIKey=ZFXICKRXPZTFPB-BIEWRJSYSA-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(C=CCCC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Canonical SMILES

O=C(O)CCC=CC(=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-(6-hydrogen 2-hexenedioate)

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles