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:87343 - 3-methylbutyl dodecanoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-methylbutyl dodecanoate
ChEBI ID
CHEBI:87343
Definition
A fatty acid ester obtained by the formal condensation of dodecanoic acid with 3-methylbutan-1-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
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
C17H34O2
Net Charge
0
Average Mass
270.45070
Monoisotopic Mass
270.25588
InChI
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
InChIKey
FVKRIDSRWFEQME-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCC(=O)OCCC(C)C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-methylbutyl dodecanoate (
CHEBI:87343
)
has functional parent
isoamylol (
CHEBI:15837
)
3-methylbutyl dodecanoate (
CHEBI:87343
)
has role
metabolite (
CHEBI:25212
)
3-methylbutyl dodecanoate (
CHEBI:87343
)
is a
dodecanoate ester (
CHEBI:87659
)
IUPAC Name
3-methylbutyl dodecanoate
Synonyms
Sources
isoamyl laurate
ChEBI
isopentyl laurate
ChEBI
Registry Number
Type
Source
6858295
Reaxys Registry Number
Reaxys
Citation
Type
Source
17625272
PubMed citation
Europe PMC
Last Modified
01 September 2015