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Substance Name: Acetonyl-coenzyme A
RN: 75179-85-0
InChIKey: GAMKENBUYYJLCQ-NDZSKPAWSA-N

Molecular Weight

  • 823.6
 
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Names and Synonyms

Name of Substance

  • Acetonyl-coenzyme A

Synonyms

  • S-Acetonyl coa
  • S-Acetonyl-coa
  • S-Acetonyl-coenzyme A

Systematic Name

  • Coenzyme A, S-(2-oxopropyl)-

Registry Numbers

CAS Registry Number

  • 75179-85-0

System Generated Number

  • 0075179850

Structure Descriptors

InChI

1S/C24H40N7O17P3S/c1-13(32)9-52-7-6-26-15(33)4-5-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-8-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1

InChIKey

GAMKENBUYYJLCQ-NDZSKPAWSA-N

Smiles

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