Chemical Compound

S-[(R)-3-Hydroxy-5-hexenoyl]coenzyme A

S-[(R)-3-Hydroxy-5-hexenoyl]coenzyme A chemical structure
Primary Record

S-[(R)-3-Hydroxy-5-hexenoyl]coenzyme A

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177572774
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)C[C@@H](CC=C)O)O
Canonical SMILES
C=CC[C@@H](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

  • S-[(R)-3-Hydroxy-5-hexenoyl]coenzyme A
  • J3.702.083D
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxyhex-5-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid