Oleoyl-CoA

CAS Registry Number®

1716-06-9

CAS Name

Oleoyl-CoA

Molecular Formula

C39H68N7O17P3S

Molecular Mass

1031.98

Cite this Page

Oleoyl-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1716-06-9 (retrieved 2024-11-26) (CAS RN: 1716-06-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1

InChIKey

InChIKey=XDUHQPOXLUAVEE-BPMMELMSSA-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(CCCCCCC/C=C\CCCCCCCC)=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)CCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • Coenzyme A, S-(9Z)-9-octadecenoate
  • Coenzyme A, S-oleate
  • Coenzyme A, S-9-octadecenoate, (Z)-
  • Oleoyl coenzyme A
  • Oleyl coenzyme A

View All

Deleted or Replaced CAS Registry Numbers

6564-68-7, 27138-69-8

CAS INSIGHTSTM
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