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Substance Name: 3-Hydroxydecanoyl-coenzyme A
RN: 79171-49-6
InChIKey: HIVSMYZAMUNFKZ-FHRNIPIGSA-N

Molecular Formula

  • C31-H54-N7-O18-P3-S

Molecular Weight

  • 937.7866
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxydecanoyl-coenzyme A

Synonyms

  • 3-Hydroxydecanoyl-coa
  • Coenzyme A, 3-hydroxydecanoyl-

Systematic Name

  • Coenzyme A, S-(3-hydroxydecanoate), (S)-

Registry Numbers

CAS Registry Number

  • 79171-49-6

System Generated Number

  • 0079171496

Structure Descriptors

InChI

1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24+,25+,26?,30+/m0/s1

InChIKey

HIVSMYZAMUNFKZ-FHRNIPIGSA-N

Smiles

c1nc(c2c(n1)n(cn2)[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(OCC(C(C(=O)NCCC(=O)NCCSC(=O)C[C@H](CCCCCCC)O)O)(C)C)O)OP(=O)(O)O)O)N