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CHEBI:186674 - 9-hydroxy-10-Octadecen-12-ynoic acid

ChEBI IDCHEBI:186674
ChEBI Name9-hydroxy-10-Octadecen-12-ynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCCC#C/C=C/[C@@H](O)CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+/t17-/m1/s1
InChIKeyAUBZNAUZNGCKAN-GWKQRERASA-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)
9-hydroxy-10-Octadecen-12-ynoic acid (CHEBI:186674) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,9S)-9-hydroxyoctadec-10-en-12-ynoic acid
Manual XrefsDatabases
16735844ChemSpider
LMFA01031025LIPID MAPS
Registry NumbersSources
CAS:7309-58-2ChemIDplus