Chemical Compound

(S)-2-Bromo-4-methylpentanoyl CoA

(S)-2-Bromo-4-methylpentanoyl CoA chemical structure
Primary Record

(S)-2-Bromo-4-methylpentanoyl CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101916733
SMILES
C[C@@H](NC(=O)CCNC(=O)C(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)SC(=O)C(CC(C)C)Br
Canonical SMILES
CC(C)CC(Br)C(=O)S[C@@H](C)NC(=O)CCNC(=O)C(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

  • (S)-2-Bromo-4-methylpentanoyl CoA
  • J642.635B
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[(1S)-1-[(2-bromo-4-methylpentanoyl)sulfanyl]ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid