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CHEBI:85059 - 3-methylundecanoic acid

ChEBI IDCHEBI:85059
ChEBI Name3-methylundecanoic acid
Stars
DefinitionA methyl-branched fatty acid that is undecanoic acid bearing a methyl substituent at position 3.
Last Modified3 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC12H24O2
Net Charge0
Average Mass200.322
Monoisotopic Mass200.17763
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)
InChIKeySHTJBHFHMAKAPT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-methylundecanoic acid (CHEBI:85059) has functional parent undecanoic acid (CHEBI:32368)
3-methylundecanoic acid (CHEBI:85059) is a branched-chain saturated fatty acid (CHEBI:39417)
3-methylundecanoic acid (CHEBI:85059) is a medium-chain fatty acid (CHEBI:59554)
3-methylundecanoic acid (CHEBI:85059) is a methyl-branched fatty acid (CHEBI:62499)
3-methylundecanoic acid (CHEBI:85059) is conjugate acid of 3-methylundecanoate (CHEBI:84184)
Incoming Relation(s)
3-methylundecanoyl-CoA (CHEBI:85075) has functional parent 3-methylundecanoic acid (CHEBI:85059)
3-methylundecanoate (CHEBI:84184) is conjugate base of 3-methylundecanoic acid (CHEBI:85059)
IUPAC Name 
3-methylundecanoic acid
Synonyms  Source
3-methyl-undecanoic acidLIPID MAPS
β-methylundecanoic acidChEBI
Manual XrefsDatabases
LMFA01020054LIPID MAPS
Registry NumbersSources
Reaxys:1723161Reaxys
CAS:65781-38-6ChemIDplus
CAS:65781-38-6NIST Chemistry WebBook