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CHEBI:187142 - Pyrulic acid

ChEBI IDCHEBI:187142
ChEBI NamePyrulic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O2
Net Charge0
Average Mass264.409
Monoisotopic Mass264.20893
SMILESCCCCCC/C=C/C#CCCCCCCC(=O)O
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,11-16H2,1H3,(H,18,19)/b8-7+
InChIKeyLRDHPEKBQXDTLO-BQYQJAHWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pyrulic acid (CHEBI:187142) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-heptadec-10-en-8-ynoic acid
Manual XrefsDatabases
4472046ChemSpider
LMFA01030482LIPID MAPS