Terminology Service for NFDI4Health
12-methyloctadecanoate
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http://purl.obolibrary.org/obo/CHEBI_84176
A methyl-branched fatty acid anion that is the conjugate base of 12-methyloctadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Term info
Label
12-methyloctadecanoate
Synonyms
- 12-methyloctadecanoate
Subsets
3_STAR
charge
-1
formula
C19H37O2
has obo namespace
chebi_ontology
has related synonym
12-methyloctadecanoate(1-), 12-methylstearate
id
CHEBI:84176
inchi
InChI=1S/C19H38O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)/p-1
inchikey
MEBDGIUGSQZVMA-UHFFFAOYSA-M
mass
297.49640
monoisotopicmass
297.27990
smiles
CCCCCCC(C)CCCCCCCCCCC([O-])=O
Term relations
Subclass of:
- methyl-branched fatty acid anion
- fatty acid anion 19:0
- is conjugate base of some 12-methyloctadecanoic acid
Related from: