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Substance Name: Palmitoyl-(1,N(6))-ethenocoenzyme A
RN: 69680-31-5
InChIKey: UIOLIMRYNAGIDL-LFZQUHGESA-N

Molecular Weight

  • 1029.97
 
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Names and Synonyms

Name of Substance

  • Palmitoyl-(1,N(6))-ethenocoenzyme A

Systematic Name

  • 3H-Imidazo(2,1-i)purine, 3-(3-O-phosphono-5-O-(1,3,7-trihydroxy-6,6-dimethyl-8,12,17-trioxo-2,4-dioxa-16-thia-9,13-diaza-1,3-diphosphadotriacont-1-yl)-beta-D-ribofuranosyl)-, P,P'-dioxide, (R)-

Registry Numbers

CAS Registry Number

  • 69680-31-5

System Generated Number

  • 0069680315

Structure Descriptors

InChI

1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(48)67-23-21-40-29(47)18-19-42-37(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)46-27-43-31-35-41-20-22-45(35)26-44-36(31)46/h20,22,26-28,32-34,38,49-50H,4-19,21,23-25H2,1-3H3,(H,40,47)(H,42,51)(H,55,56)(H,57,58)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1

InChIKey

UIOLIMRYNAGIDL-LFZQUHGESA-N

Smiles

n1cn(c2ncn3c(ncc3)c12)[C@H]1[C@H](O)[C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@@](OCC(C)(C)[C@H](C(NCCC(NCCSC(=O)CCCCCCCCCCCCCCC)=O)=O)O)(=O)O)OP(=O)(O)O