Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:77197 - isotridecanoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
isotridecanoate
ChEBI ID
CHEBI:77197
Definition
A methyl-branched fatty acid anion that is the conjugate base of isotridecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C13H25O2
Net Charge
-1
Average Mass
213.33690
Monoisotopic Mass
213.18600
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)/p-1
InChIKey
SIOLDWZBFABPJU-UHFFFAOYSA-M
SMILES
CC(C)CCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing
isotridecanoate (
CHEBI:77197
)
is a
methyl-branched fatty acid anion (
CHEBI:67013
)
isotridecanoate (
CHEBI:77197
)
is conjugate base of
isotridecanoic acid (
CHEBI:77359
)
Incoming
isotridecanoic acid (
CHEBI:77359
)
is conjugate acid of
isotridecanoate (
CHEBI:77197
)
IUPAC Name
11-methyldodecanoate
Synonyms
Sources
11-methyldodecanoate
UniProt
11-methyldodecylate
SUBMITTER
11-methyllaurate
SUBMITTER
isotridecylate
SUBMITTER
Last Modified
18 February 2014