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CHEBI:77359 - isotridecanoic acid

ChEBI IDCHEBI:77359
ChEBI Nameisotridecanoic acid
Stars
DefinitionA branched-chain saturated fatty acid comprising dodecanoic (lauric) acid substituted at position 11 by a methyl group.
Last Modified26 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC13H26O2
Net Charge0
Average Mass214.349
Monoisotopic Mass214.19328
SMILESCC(C)CCCCCCCCCC(=O)O
InChIInChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeySIOLDWZBFABPJU-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)
isotridecanoic acid (CHEBI:77359) is a branched-chain saturated fatty acid (CHEBI:39417)
isotridecanoic acid (CHEBI:77359) is a medium-chain fatty acid (CHEBI:59554)
isotridecanoic acid (CHEBI:77359) is a methyl-branched fatty acid (CHEBI:62499)
isotridecanoic acid (CHEBI:77359) is conjugate acid of isotridecanoate (CHEBI:77197)
Incoming Relation(s)
isotridecanoate (CHEBI:77197) is conjugate base of isotridecanoic acid (CHEBI:77359)
IUPAC Name 
11-methyldodecanoic acid
Synonyms  Source
11-methyllauric acidChEBI
C13:0 isoChEBI
i13:0ChEBI
iso-C13:0ChEBI
13:0 isoChEBI
Registry NumbersSources
Reaxys:1767822Reaxys
CAS:25448-24-2ChemIDplus