Chemical Compound

Acetonyl-coenzyme A

CAS Registry Number 75179-85-0
Acetonyl-coenzyme A chemical structure
Primary Record

Acetonyl-coenzyme A

In stock
9,185 g
Purity
99.4 %
CAS
75179-85-0

Compound Identifiers & Properties

CAS
75179-85-0
PubChem CID
194658
SMILES
CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
Canonical SMILES
CC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

Names & Synonyms

  • Acetonyl-coenzyme A
  • diphosphate
  • S-Acetonyl coa
  • S-Acetonyl-coa
  • S-Acetonyl-coenzyme A
  • AC1L4YNV
  • RefChem:914972
  • Coenzyme A, S-(2-oxopropyl)-
  • DTXSID50996646
  • S-(2-OXOPROPYL)-COENZYME A
  • CID194658
  • 75179-85-0
  • S-Acetonyl CoA; (Acyl-CoA); [M+H]+;
  • Q27465440
  • [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl (3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(2-Oxopropyl)thio]ethyl}amino)propyl]amino}butyl Dihydrogen Diphosphate
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxopropylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
  • (3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN
  • [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)
  • 5'-O-[({[(3R)-3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(2-oxopropyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
  • 9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(2-oxopropyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
  • SOP