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Substance Name: Hexanoyl-coenzyme A
RN: 5060-32-2
InChIKey: OEXFMSFODMQEPE-HDRQGHTBSA-N

Molecular Formula

  • C27-H46-N7-O17-P3-S

Molecular Weight

  • 865.6804
 
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Names and Synonyms

Name of Substance

  • Hexanoyl-coenzyme A

Synonyms

  • Coenzyme A, hexanoyl-
  • Hexanoyl-coa

Systematic Name

  • Coenzyme A, S-hexanoate

Registry Numbers

CAS Registry Number

  • 5060-32-2

System Generated Number

  • 0005060322

Structure Descriptors

InChI

1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1

InChIKey

OEXFMSFODMQEPE-HDRQGHTBSA-N

Smiles

CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O