EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209144 - Labrenzide

ChEBI IDCHEBI:209144
ChEBI NameLabrenzide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O2
Net Charge0
Average Mass212.333
Monoisotopic Mass212.17763
SMILESCCCCCC[C@H]1C[C@H]1CCCC(=O)O
InChIInChI=1S/C13H24O2/c1-2-3-4-5-7-11-10-12(11)8-6-9-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyMQWFOICQHNOBOJ-NWDGAFQWSA-N
Species of MetaboliteComponentSourceComments
Labrenziaspecies 011 (ncbitaxon:2171494) - PubMed (30297608)
ChEBI Ontology
Outgoing Relation(s)
Labrenzide (CHEBI:209144) is a fatty acid derivative (CHEBI:61697)
IUPAC Name 
4-[(1R,2S)-2-hexylcyclopropyl]butanoic acid
Manual XrefsDatabases
68764516ChemSpider