Chemical Compound

3-carboxypropyl-CoA

CAS Registry Number 158839-27-1
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3-carboxypropyl-CoA chemical structure
Primary Record

3-carboxypropyl-CoA

In stock
1,142 g
Purity
99.7 %
CAS
158839-27-1

Compound Identifiers & Properties

CAS
158839-27-1
PubChem CID
449583
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)NCCSCCCC(=O)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)NCCSCCCC(=O)O

Names & Synonyms

  • 3-carboxypropyl-CoA
  • 3-CARBOXYPROPYL-COENZYME A
  • RefChem:911230
  • AC1L9N9Z
  • orb3022192
  • SCHEMBL2112268
  • CID449583
  • Q27453706
  • 3-CARBOXYPROPYL-COENZYME A; (Acyl-CoA); [M+H]+;
  • 3CP
  • 4-[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]ethylsulfanyl]butanoic acid
  • (3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)
  • 158839-27-1