CAS 85-61-0PubChem CID 87642
Coenzyme A
Coenzyme A is a thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit. It has a role as a coenzyme, a mouse metabolite and an Escherichia coli metabolite. It is a secondary carboxamide, a member of 6-aminopurines, a nucleotide derivative and a thiol. It is functionally related to a 3'-phosphate-adenosine-5'-diphosphate. It is a conjugate acid of a coenzyme A(4-). — ChEBI
- IUPAC name
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
- Molecular formula
- C21H36N7O16P3S
- Molecular weight
- 767.5 g/mol
- Exact mass
- 767.11521025 Da
- XLogP3
- -5.8
- Topological polar surface area
- 348.0 Ų
- Hydrogen-bond donors
- 10
- Hydrogen-bond acceptors
- 21
- Covalent units
- 1
- Defined stereocentres
- 5
Also known as
CoASHCoA-SHZeelHSCoACOENZYME_ASAA04E81UX3'-phosphoadenosine-(5')diphospho(4')pantatheineCHEBI:15346
16 more reported names
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-sulfanylethyl)amino)propyl)amino)butyl) dihydrogen diphosphate)RefChem:127396201-619-0CoAAluzimeDepot-ZeelCoenzyme ASHCoenzym Aco-enzyme-AHS-CoAReduced CoACo-A-SHC21H36N7O16P3SCoalipLucina
External database identifiers
- ChEBI:CHEBI:15346
- ChEMBL:CHEMBL1213327
- EPA DTXSID:DTXSID9048302
- PubMed:28077572
- PubMed:17371050
- PubMed:16141203
- PubMed:15155947
- PubMed:14376210
- PubMed:13052630
- PubMed:12837950
- PubMed:7989303
- PubMed:2698229
- PubMed:2384085
- PubMed:7379
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.