Primary Record
(2S)-ibuprofenoyl-CoA
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 122706019
- SMILES
- C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)([O-])[O-])O
- Canonical SMILES
- CC(C)Cc1ccc([C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])cc1
Names & Synonyms
- (2S)-ibuprofenoyl-CoA
- (2S)-ibuprofenoyl-CoA(4-)
- CHEBI:146204
- (2S)-ibuprofenoyl-coenzyme A(4-)