EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219860 - (3S,4S)-3-hydroxytetradec-13-ene-1,3,4-tricarboxylic acid

Default Structure
ChEBI IDCHEBI:219860
ChEBI Name(3S,4S)-3-hydroxytetradec-13-ene-1,3,4-tricarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O7
Net Charge0
Average Mass344.404
Monoisotopic Mass344.18350
SMILESC=CCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)O)C(=O)O
InChIInChI=1S/C17H28O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h2,13,24H,1,3-12H2,(H,18,19)(H,20,21)(H,22,23)/t13-,17+/m1/s1
InChIKeyKAEUHBWCUQSEQR-DYVFJYSZSA-N
Species of MetaboliteComponentSourceComments
Penicillium solitum (ncbitaxon:60172) - PubMed (22276851)
ChEBI Ontology
Outgoing Relation(s)
(3S,4S)-3-hydroxytetradec-13-ene-1,3,4-tricarboxylic acid (CHEBI:219860) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3S,4S)-3-hydroxytetradec-13-ene-1,3,4-tricarboxylic acid