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CHEBI:187431 - Ipurolic acid

ChEBI IDCHEBI:187431
ChEBI NameIpurolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H28O4
Net Charge0
Average Mass260.374
Monoisotopic Mass260.19876
SMILESCCCC(O)CCCCCCCC(O)CC(=O)O
InChIInChI=1S/C14H28O4/c1-2-8-12(15)9-6-4-3-5-7-10-13(16)11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)
InChIKeyAVKYODWULTZQPQ-UHFFFAOYSA-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)
Ipurolic acid (CHEBI:187431) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
3,11-dihydroxytetradecanoic acid
Manual XrefsDatabases
4446050ChemSpider
LMFA01050081LIPID MAPS