Primary Record
Ibuprofenyl-coa
- In stock
- 9,026 g
- Purity
- 98.8 %
- CAS
- 135027-64-4
Compound Identifiers & Properties
- CAS
- 135027-64-4
- PubChem CID
- 3081818
- SMILES
- C[C@@H](C1=CC=C(C=C1)C(C)(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
- C[C@H](C(=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)c1ccc(C(C)(C)C)cc1
Names & Synonyms
- Ibuprofenyl-coa
- Ibuprofenyl-coenzyme A
- Coenzyme A, ibuprofenyl-
- (S)-ibuprofenoyl CoA
- AC1MIXMC
- 2-(4-Isobutylphenyl)propionyl-coa
- RefChem:923257
- DTXSID701347967
- C34H52N7O17P3S
- DTXCID501776712
- 135027-64-4
- CID3081818
- C34-H52-N7-O17-P3-S
- Ibuprofenyl-CoA; (Acyl-CoA); [M+H]+;
- S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-(4-tert-butylphenyl)propanethioate
- Coenzyme A, S-(alpha-methyl-4-(2-methylpropyl)benzenacetate), (S)-