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Substance Name: Coenzyme A, S-butyl-
RN: 70019-70-4
InChIKey: GMNUMJBULOOFKU-UHFFFAOYSA-N

Molecular Formula

  • C25-H44-N7-O16-P3-S

Molecular Weight

  • 823.644
 
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Names and Synonyms

Synonym

  • Butyl coenzyme A

Systematic Name

  • Coenzyme A, S-butyl-

Registry Numbers

CAS Registry Number

  • 70019-70-4

System Generated Number

  • 0070019704

Structure Descriptors

InChI

1S/C25H44N7O16P3S/c1-24(2,3)52-9-8-27-15(33)6-7-28-22(36)19(35)25(4,5)11-45-51(42,43)48-50(40,41)44-10-14-18(47-49(37,38)39)17(34)23(46-14)32-13-31-16-20(26)29-12-30-21(16)32/h12-14,17-19,23,34-35H,6-11H2,1-5H3,(H,27,33)(H,28,36)(H,40,41)(H,42,43)(H2,26,29,30)(H2,37,38,39)

InChIKey

GMNUMJBULOOFKU-UHFFFAOYSA-N

Smiles

C(=O)(NCCSC(C)(C)C)CCNC([C@@H](C(CO[P@@](O[P@@](OC[C@@H]1[C@@H](OP(O)(=O)O)[C@@H](O)[C@@H](O1)n1cnc2c(ncnc12)N)(=O)O)(=O)O)(C)C)O)=O