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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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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Molfile
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 (Br
o
nsted 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