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CHEBI:84184 - 3-methylundecanoate

ChEBI IDCHEBI:84184
ChEBI Name3-methylundecanoate
Stars
DefinitionA 3-methyl fatty acid anion that is the conjugate base of 3-methylundecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2015
Submitternhn
DownloadsMolfile
FormulaC12H23O2
Net Charge-1
Average Mass199.314
Monoisotopic Mass199.17035
SMILESCCCCCCCCC(C)CC(=O)[O-]
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-11(2)10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)/p-1
InChIKeySHTJBHFHMAKAPT-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-methylundecanoate (CHEBI:84184) is a 3-methyl fatty acid anion (CHEBI:83972)
3-methylundecanoate (CHEBI:84184) is a fatty acid anion 12:0 (CHEBI:78119)
3-methylundecanoate (CHEBI:84184) is a medium-chain fatty acid anion (CHEBI:59558)
3-methylundecanoate (CHEBI:84184) is conjugate base of 3-methylundecanoic acid (CHEBI:85059)
Incoming Relation(s)
3-methylundecanoic acid (CHEBI:85059) is conjugate acid of 3-methylundecanoate (CHEBI:84184)
IUPAC Name 
3-methylundecanoate
Synonym  Source
3-methylundecanoate(1−)ChEBI
UniProt Name  Source
3-methylundecanoateUniProt
Citations