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Substance Name: Octanoyl-coenzyme A
RN: 1264-52-4
InChIKey: KQMZYOXOBSXMII-PJASCIKHSA-N

Molecular Formula

  • C29-H50-N7-O17-P3-S

Molecular Weight

  • 893.734
 
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Names and Synonyms

Name of Substance

  • Octanoyl-coenzyme A

Synonyms

  • Coenzyme A, octanoyl-
  • Octanoyl-coa

Systematic Name

  • Coenzyme A, S-octanoate

Registry Numbers

CAS Registry Number

  • 1264-52-4

System Generated Number

  • 0001264524

Structure Descriptors

InChI

1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28?/m1/s1

InChIKey

KQMZYOXOBSXMII-PJASCIKHSA-N

Smiles

c12[n@@]([C@@H]3[C@@H]([C@H](OP(=O)(O)O)[C@H](O3)CO[P@@](O[P@@](OCC([C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCC)O)(C)C)(=O)O)(=O)O)O)cnc1c(N)ncn2