An acyl-CoA having acetyl as its S-acetyl component.

Synonyms: Acetyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)

This is just here as a test because I lose it

Term information

Subsets

3_STAR

charge

0

database cross reference

PMID:19596230

PMID:15247244

Reaxys:78145

PMID:16708165

PMID:19914586

ECMDB:ECMDB01206

CAS:72-89-9

PDBeChem:ACO

PMID:3950616

PMID:18613815

KNApSAcK:C00007259

PMID:19356710

YMDB:YMDB00312

PMID:17242360

HMDB:HMDB0001206

PMID:12527305

UM-BBD_compID:c0031

PMID:16101314

PMID:16667687

PMID:17189273

KEGG:C00024

PMID:17631502

Wikipedia:Acetyl-CoA

PMID:12739170

formula

C23H38N7O17P3S

has related synonym

AcCoA

S-acetyl-coenzyme A

S-acetyl-CoA

Acetyl coenzyme A

has alternative id

CHEBI:2408

CHEBI:40470

CHEBI:22192

CHEBI:13712

has obo namespace

chebi_ontology

id

CHEBI:15351

imported from

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

inchi

InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1

inchikey

ZSLZBFCDCINBPY-ZSJPKINUSA-N

mass

809.57208

monoisotopicmass

809.12577

smiles

CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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