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CHEBI:186921 - 16-methyl-octadeca-5Z,9Z,12Z-trienoic acid

ChEBI IDCHEBI:186921
ChEBI Name16-methyl-octadeca-5Z,9Z,12Z-trienoic acid
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O2
Net Charge0
Average Mass292.463
Monoisotopic Mass292.24023
SMILESCCC(C)CC/C=C\C/C=C\CC/C=C\CCCC(=O)O
InChIInChI=1S/C19H32O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4,6,9-12,18H,3,5,7-8,13-17H2,1-2H3,(H,20,21)/b6-4-,11-9-,12-10-
InChIKeyCBDCJUVYPOLINT-XXCIQDTRSA-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)
16-methyl-octadeca-5Z,9Z,12Z-trienoic acid (CHEBI:186921) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name 
(5Z,9Z,12Z)-16-methyloctadeca-5,9,12-trienoic acid
Manual XrefsDatabases
113368152ChemSpider
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