Chemical Compound
4-Chlorobenzoyl-CoA
CAS Registry Number
117380-98-0
Primary Record
4-Chlorobenzoyl-CoA
- In stock
- 2,208 g
- Purity
- 99.2 %
- CAS
- 117380-98-0
Compound Identifiers & Properties
- CAS
- 117380-98-0
- PubChem CID
- 3082839
- 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)C4=CC=C(C=C4)Cl)O
- Canonical SMILES
- CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1
Names & Synonyms
- 4-Chlorobenzoyl-CoA
- 4-Cba-coa
- 4-Chlorobenzoyl coa
- 4-Chlorobenzoyl coenzyme A
- AC1MIZLJ
- Coenzyme A, S-(4-chlorobenzoate)
- C28H39ClN7O17P3S
- orb3022318
- S-(4-Chlorobenzoyl)coenzyme A
- SCHEMBL2931857
- SCHEMBL30637595
- CHEBI:15498
- CTK4B0239
- DTXSID00922410
- Coenzyme A,S-(4-chlorobenzoate)
- 117380-98-0
- CID3082839
- C28-H39-Cl-N7-O17-P3-S
- J764.158C
- 4-Chlorobenzoyl CoA; (Acyl-CoA); [M+H]+;
- C06387
- Q27089480
- 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] 4-chlorobenzenecarbothioate
- 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-chlorobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(4-chlorobenzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
- 5'-O-[({[(3R)-4-{[3-({2-[(4-Chlorobenzoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
- 9-{5-O-[{[(4-{[3-({2-[(4-Chlorobenzoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(4-chlorobenzoylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester