Chemical Compound

3-oxopropanoyl-CoA

CAS Registry Number 6244-93-5
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3-oxopropanoyl-CoA chemical structure
Primary Record

3-oxopropanoyl-CoA

In stock
9,745 g
Purity
98.7 %
CAS
6244-93-5

Compound Identifiers & Properties

CAS
6244-93-5
PubChem CID
25137843
SMILES
CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC=O)O
Canonical SMILES
CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC=O

Names & Synonyms

  • 3-oxopropanoyl-CoA
  • 3-Oxopropionyl-CoA
  • Malonyl semialdehyde-CoA
  • 3-oxo fatty acyl-CoAs
  • 3-oxopropanoyl-coenzyme A
  • 3-oxo fatty acyl-coenzyme A
  • SCHEMBL108004
  • SCHEMBL29910433
  • CHEBI:15489
  • CHEBI:28673
  • Coenzyme A, S-(3-oxopropanoate)
  • DTXSID501303860
  • C05989
  • Q27103823
  • 6244-93-5
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-oxopropanethioate
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxopropanethioate
  • S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxopropanethioate