EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:165377 - 2,4-Dihydroxy-2-heptenedioic acid

Default Structure
ChEBI IDCHEBI:165377
ChEBI Name2,4-Dihydroxy-2-heptenedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H10O6
Net Charge0
Average Mass190.151
Monoisotopic Mass190.04774
SMILESO=C(O)CCC(O)/C=C(\O)C(=O)O
InChIInChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)/b5-3-
InChIKeyAPNIDHDQYISZAE-HYXAFXHYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,4-Dihydroxy-2-heptenedioic acid (CHEBI:165377) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(Z)-2,4-dihydroxyhept-2-enedioic acid
Manual XrefsDatabases
4444427ChemSpider
C06201KEGG COMPOUND
LMFA01170062LIPID MAPS