EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209195 - (-)-9-hydroxyhexylitaconic acid

Default Structure
ChEBI IDCHEBI:209195
ChEBI Name(-)-9-hydroxyhexylitaconic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O5
Net Charge0
Average Mass230.260
Monoisotopic Mass230.11542
SMILESC=C(C(=O)O)C(CCCCC(C)O)C(=O)O
InChIInChI=1S/C11H18O5/c1-7(12)5-3-4-6-9(11(15)16)8(2)10(13)14/h7,9,12H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeySPTZQYLKDFWPGO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (21397285)
ChEBI Ontology
Outgoing Relation(s)
(-)-9-hydroxyhexylitaconic acid (CHEBI:209195) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-(5-hydroxyhexyl)-3-methylidenebutanedioic acid
Manual XrefsDatabases
9428243ChemSpider