Chemical Compound

acetoacetyl-coenzyme a

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acetoacetyl-coenzyme a chemical structure
Primary Record

acetoacetyl-coenzyme a

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
448811
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2CNC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=C)O)O
Canonical SMILES
C=C(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-coenzyme a
  • AC1L9MDG
  • CID448811
  • CAA
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4S,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxybut-3-enethioate