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CHEBI:57288 - acetyl-CoA(4−)

ChEBI IDCHEBI:57288
ChEBI Nameacetyl-CoA(4−)
Stars
ASCII Nameacetyl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetraanion of acetyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.
Last Modified21 January 2016
DownloadsMolfile

FormulaC23H34N7O17P3S
Net Charge-4
Average Mass805.546
Monoisotopic Mass805.09667
SMILESCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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)/p-4/t13-,16-,17-,18+,22-/m1/s1
InChIKeyZSLZBFCDCINBPY-ZSJPKINUSA-J

Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification

ChEBI Ontology
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
Synonyms  Source
AcCoA(4−)ChEBI
acetyl-CoA tetraanionChEBI
acetyl-coenzyme A(4−)ChEBI
UniProt Name  Source
acetyl-CoAUniProt
Registry NumbersSources
Beilstein:8468140Beilstein