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Substance Name: 2-Chlorooctanoyl-coenzyme A
RN: 149542-21-2
InChIKey: SNCMDUSFYNOAEN-PMDCUQHOSA-N

Molecular Weight

  • 928.179
 
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Names and Synonyms

Name of Substance

  • 2-Chlorooctanoyl-coenzyme A

Synonym

  • 2-Chlorooctanoyl-coa

Registry Numbers

CAS Registry Number

  • 149542-21-2

System Generated Number

  • 0149542212

Structure Descriptors

InChI

1S/C29H49ClN7O17P3S/c1-4-5-6-7-8-17(30)28(42)58-12-11-32-19(38)9-10-33-26(41)23(40)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-22(53-55(43,44)45)21(39)27(52-18)37-16-36-20-24(31)34-15-35-25(20)37/h15-18,21-23,27,39-40H,4-14H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t17?,18-,21-,22-,23+,27-/m1/s1

InChIKey

SNCMDUSFYNOAEN-PMDCUQHOSA-N

Smiles

OP(O[C@@H]1[C@H](O[C@H](n2cnc3c(N)ncnc23)[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OCC(C)(C)[C@H](C(NCCC(NCCSC([C@@H](Cl)CCCCCC)=O)=O)=O)O)(O)=O