Primary Record
benzoyl-coenzyme A
- In stock
- 9,543 g
- Purity
- 99.2 %
- CAS
- 6756-74-7
Compound Identifiers & Properties
- CAS
- 6756-74-7
- PubChem CID
- 122174
- SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=CC=C4)O
- Canonical SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1
Names & Synonyms
- benzoyl-coenzyme A
- Benzoyl-coa
- Benzoyl CoA
- Coenzyme A, benzoyl-
- Benzoyl Coenzyme A
- Coenzyme A, S-benzoate
- RefChem:916970
- AC1L3U4G
- UNII-94E93R5B3D
- C28H40N7O17P3S
- 94E93R5B3D
- AR-1L3753
- CID122174
- Benzoyl-CoA; (Acyl-CoA); [M+H]+;
- C28-H40-N7-O17-P3-S
- 6756-74-7
- Benzoic acid, thio-, S-ester with coenzyme A
- S-[2-[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] benzenecarbothioate
- 68288-71-1
- s-{(9r)-1-[(2r,3s,4r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3|E5,5|E5-diphosphaheptadecan-17-yl} benzenecarbothioate(non-preferred name)