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CHEBI:211983 - (-)-Hexylitaconic acid

ChEBI IDCHEBI:211983
ChEBI Name(-)-Hexylitaconic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O4
Net Charge0
Average Mass214.261
Monoisotopic Mass214.12051
SMILESC=C(C(=O)O)[C@H](CCCCCC)C(=O)O
InChIInChI=1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyHKMDCNSGDQBQLI-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Apiospora montagnei (ncbitaxon:255776) - PubMed (15217297)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(-)-Hexylitaconic acid (CHEBI:211983) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2S)-2-hexyl-3-methylidenebutanedioic acid
Manual XrefsDatabases
58125843ChemSpider