Primary Record
(S)-Ibuprofenoyl-Coenzyme A
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 49867642
- 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)[N+]3=CNC4=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]([n+]3c[nH]c4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1
Names & Synonyms
- (S)-Ibuprofenoyl-Coenzyme A
- 6-amino-9-[(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-{(3S,5R,9R,20S)-3,5,9-trihydroxy-8,8-dimethyl-20-[4-(2-methylpropyl)phenyl]-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-1-yl}tetrahydrofuran-2-yl]-7H-purin-9-ium (non-preferred name)