Chemical Compound

2-Methylacetoacetyl-coa

CAS Registry Number 6712-01-2
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2-Methylacetoacetyl-coa chemical structure
Primary Record

2-Methylacetoacetyl-coa

In stock
5,848 g
Purity
99.6 %
CAS
6712-01-2

Compound Identifiers & Properties

CAS
6712-01-2
PubChem CID
22833561
SMILES
CC(C(=O)C)C(=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)C(C)C(=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

  • 2-Methylacetoacetyl-coa
  • SCHEMBL1533808
  • 2-Methylacetoacetyl-CoA; (Acyl-CoA); [M+H]+;
  • Q2813820
  • 6712-01-2