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Substance Name: Oleoyl-coenzyme A
RN: 1716-06-9
InChIKey: XDUHQPOXLUAVEE-BPMMELMSSA-N

Molecular Formula

  • C39-H68-N7-O17-P3-S

Molecular Weight

  • 1031.99
 
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Names and Synonyms

Name of Substance

  • Oleoyl-coenzyme A

Synonyms

  • Coenzyme A, oleoyl-
  • EINECS 216-998-8
  • Oleoyl-CoA

Systematic Name

  • S-Oleoylcoenzyme A

Registry Numbers

CAS Registry Number

  • 1716-06-9

System Generated Number

  • 0001716069

Structure Descriptors

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

XDUHQPOXLUAVEE-BPMMELMSSA-N

Smiles

N(C(CCNC(=O)[C@H](O)C(CO[P@@](=O)(O)O[P@@](OC[C@@H]1[C@H]([C@@H](O)[C@@H](n2c3c(nc2)c(N)ncn3)O1)OP(=O)(O)O)(=O)O)(C)C)=O)CCSC(=O)CCCCCCC\C=C/CCCCCCCC