A thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit.

Synonyms: COENZYME A Coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}

This is just here as a test because I lose it

Term information

Subsets

3_STAR

charge

0

database cross reference

PDBeChem:COA

PDBeChem:COZ

PMID:20351285

PMID:19666462

PMID:2981478

PMID:7310833

Beilstein:77809

PMID:18407920

Wikipedia:Coenzyme_A

KNApSAcK:C00007258

PMID:15014152

PMID:13025483

PMID:15893380

DrugBank:DB01992

CAS:85-61-0

PMID:11923312

KEGG:C00010

formula

C21H36N7O16P3S

has related synonym

CoA-SH

CoA

HSCoA

[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate

3'-phosphoadenosine-(5')diphospho(4')pantatheine

CoASH

Koenzym A

Coenzym A

has alternative id

CHEBI:13298

CHEBI:41631

CHEBI:13294

CHEBI:13295

CHEBI:23355

CHEBI:41597

CHEBI:741566

CHEBI:3771

has obo namespace

chebi_ontology

id

CHEBI:15346

imported from

http://purl.obolibrary.org/obo/chebi.owl

inchi

InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

inchikey

RGJOEKWQDUBAIZ-IBOSZNHHSA-N

mass

767.53540

monoisotopicmass

767.11521

smiles

CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS

Term relations

Subclass of: