Chemical Compound

3-Methylglutaconyl CoA

CAS Registry Number 6247-73-0
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3-Methylglutaconyl CoA chemical structure
Primary Record

3-Methylglutaconyl CoA

In stock
8,728 g
Purity
99.6 %
CAS
6247-73-0

Compound Identifiers & Properties

CAS
6247-73-0
PubChem CID
157541504
SMILES
CC(=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)CC(=O)O
Canonical SMILES
CC(=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)CC(=O)O

Names & Synonyms

  • 3-Methylglutaconyl CoA
  • SCHEMBL188195
  • SCHEMBL29632807
  • DTXSID30274297
  • (9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8,21-trimethyl-3,5,10,14,19-pentaoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphatricos-20-en-23-oic acid
  • 6247-73-0