Coenzyme A, S-(2E)-2-decenoate

CAS Registry Number®

10018-95-8

CAS Name

Coenzyme A, S-(2E)-2-decenoate

Molecular Formula

C31H52N7O17P3S

Molecular Mass

919.77

Cite this Page

Coenzyme A, S-(2E)-2-decenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10018-95-8 (retrieved 2024-11-08) (CAS RN: 10018-95-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+/t20-,24-,25-,26+,30-/m1/s1

InChIKey

InChIKey=MGNBGCRQQFMNBM-YJHHLLFWSA-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=C/CCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Canonical SMILES

O=C(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)C=CCCCCCCC

Other Names for this Substance

  • Coenzyme A, S-(2E)-2-decenoate
  • Coenzyme A, S-2-decenoate, (E)-
  • trans-Δ2,3-Decenoyl-CoA
  • 2-trans-Decenoyl-CoA
  • trans-2-Decenoylcoenzyme A

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CAS INSIGHTSTM
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