Chemical Compound
3-Chloropropionyl-coa
CAS Registry Number
96212-36-1
Primary Record
3-Chloropropionyl-coa
- In stock
- 9,499 g
- Purity
- 98.4 %
- CAS
- 96212-36-1
Compound Identifiers & Properties
- CAS
- 96212-36-1
- PubChem CID
- 125892
- SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCl)O
- Canonical SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCl
Names & Synonyms
- 3-Chloropropionyl-coa
- 3-Chloropropionyl-coenzyme A
- AC1L2PDZ
- AC1Q3UHG
- RefChem:911249
- Coenzyme A, 3-chloropropionyl-
- DTXSID10914609
- AR-1L3800
- CID125892
- 96212-36-1
- 3-Chloropropionyl-CoA; (Acyl-CoA); [M+H]+;
- S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-chloropropanethioate
- s-{1-[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} 3-chloropropanethioate(non-preferred name)
- 1908-03-8
- 9-{5-O-[{[(4-{[3-({2-[(3-Chloropropanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-aminato
- 9-{5-O-[{[(4-{[3-({2-[(3-Chloropropanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine