Chemical Compound

Acetoacetyl coa

CAS Registry Number 1420-36-6
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Acetoacetyl coa chemical structure
Primary Record

Acetoacetyl coa

In stock
2,519 g
Purity
98.8 %
CAS
1420-36-6

Compound Identifiers & Properties

CAS
1420-36-6
PubChem CID
46936566
SMILES
CC(=O)CC(=O)SCCNC(=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)CC(=O)SCCNC(=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

  • Acetoacetyl coa
  • acetoacetyl-coenzyme a
  • S-Acetoacetylcoenzyme A
  • C25H40N7O18P3S
  • EINECS 215-815-9
  • C25-H40-N7-O18-P3-S
  • Q27094020
  • 1420-36-6