CHEBI:77359 - isotridecanoic acid

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ChEBI Name isotridecanoic acid
ChEBI ID CHEBI:77359
Definition A branched-chain saturated fatty acid comprising dodecanoic (lauric) acid substituted at position 11 by a methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H26O2
Net Charge 0
Average Mass 214.34430
Monoisotopic Mass 214.19328
InChI InChI=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)
InChIKey SIOLDWZBFABPJU-UHFFFAOYSA-N
SMILES CC(C)CCCCCCCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 isotridecanoate (CHEBI:77197) is conjugate base of isotridecanoic acid (CHEBI:77359)
IUPAC Name
11-methyldodecanoic acid
Synonyms Sources
11-methyllauric acid ChEBI
13:0 iso ChEBI
C13:0 iso ChEBI
i13:0 ChEBI
iso-C13:0 ChEBI
Registry Numbers Types Sources
1767822 Reaxys Registry Number Reaxys
25448-24-2 CAS Registry Number ChemIDplus
Last Modified
26 March 2015