coenzyme A

Chemical Formula:

C₂₁H₃₂N₇O₁₆P₃S

Molecular Weight:

763.502 Daltons

Monoisotopic Mass:

767.1152083656 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

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)/p-4/t11-,14-,15-,16+,20-/m1/s1

InChIKey:

RGJOEKWQDUBAIZ-IBOSZNHHSA-J

Synonyms

CoA
co-A-SH
co-enzyme-A
co-A
HS-CoA
CoA-SH

Databases

MetaCyc: CO-A

BiGG: coa

RefMet: Coenzyme A

Wikipedia: Coenzyme_a

MetaboLights: MTBLC57287

HMDB: HMDB01423

ChEBI: 57287 15346

PubChem (CID): 25113190 87642

CAS: 85-61-0

KEGG: C00010

CHEMBL: CHEMBL1213327 CHEMBL1623949

PDB-CCD: COA

NIKKAJI: J192.630F

KNApSAcK: C00007258

PupChem (SID): 3312