Chemical Compound

gentisyl-CoA

CAS Registry Number 154145-26-3
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gentisyl-CoA chemical structure
Primary Record

gentisyl-CoA

In stock
9,174 g
Purity
99.2 %
CAS
154145-26-3

Compound Identifiers & Properties

CAS
154145-26-3
PubChem CID
49859680
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)NCCSC(=O)C4=C(C=CC(=C4)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)NCCSC(=O)c1cc(O)ccc1O

Names & Synonyms

  • gentisyl-CoA
  • 2,5-dihydroxybenzoyl-CoA
  • orb3022259
  • SCHEMBL9950982
  • CHEBI:90176
  • C21081
  • Q27162378
  • 154145-26-3
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2,5-dihydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}