CHEBI:89658 - Acetyl citrate

ChEBI IDCHEBI:89658
ChEBI NameAcetyl citrate
Stars
Last Modified30 January 2020
DownloadsMolfile
FormulaC8H10O8
Net Charge0
Average Mass234.160
Monoisotopic Mass234.03757
SMILESCC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O8/c1-4(9)16-6(12)3-8(15,7(13)14)2-5(10)11/h15H,2-3H2,1H3,(H,10,11)(H,13,14)
InChIKeyWWXUGNUFCNYMFK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22624806)
ChEBI Ontology
Outgoing Relation(s)
Acetyl citrate (CHEBI:89658) is a acetate ester (CHEBI:47622)
Synonyms  Source
2-(2-acetyloxy-2-oxoethyl)-2-hydroxybutanedioateHMDB
2-[2-(acetyloxy)-2-oxoethyl]-2-hydroxybutanedioateHMDB
Manual XrefsDatabases
HMDB0059808HMDB
Citations