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CHEBI:186713 - 12,13-dihydroxy stearic acid

ChEBI IDCHEBI:186713
ChEBI Name12,13-dihydroxy stearic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H36O4
Net Charge0
Average Mass316.482
Monoisotopic Mass316.26136
SMILESCCCCCC(O)C(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
InChIKeyPEUSBAXOWSDDBR-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)
12,13-dihydroxy stearic acid (CHEBI:186713) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
12,13-dihydroxyoctadecanoic acid
Manual XrefsDatabases
4446058ChemSpider
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