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CHEBI:185269 - 9,12-dihydroxy stearic acid

Default Structure
ChEBI IDCHEBI:185269
ChEBI Name9,12-dihydroxy stearic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H36O4
Net Charge0
Average Mass316.482
Monoisotopic Mass316.26136
SMILESCCCCCCC(O)CCC(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H36O4/c1-2-3-4-8-11-16(19)14-15-17(20)12-9-6-5-7-10-13-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
InChIKeyCJKWEXKSSFUTCE-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)
9,12-dihydroxy stearic acid (CHEBI:185269) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
9,12-dihydroxyoctadecanoic acid
Manual XrefsDatabases
279903ChemSpider
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