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CAS 1066-12-2: Coenzyme A, S-(2E)-2-dodecenoate

Formula:C33H56N7O17P3S
InChI:InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28+,32-/m1/s1
InChI key:InChIKey=IRFYVBULXZMEDE-DEEZISNZSA-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/CCCCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:
  • Coenzyme A, S-2-dodecenoate, (E)-
  • trans-2-Dodecenoylcoenzyme A
  • (2E)-Dodecenoyl-CoA
  • Coenzyme A, S-(2E)-2-dodecenoate
  • trans-Δ2,3-Dodecenoyl-CoA
  • Coenzyme A, S-trans-2-dodecenoate
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