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:73689 - methyl isobutyrate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
methyl isobutyrate
ChEBI ID
CHEBI:73689
Definition
The fatty acid methyl ester of isobutyric acid.
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
C5H10O2
Net Charge
0
Average Mass
102.13170
Monoisotopic Mass
102.06808
InChI
InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChIKey
BHIWKHZACMWKOJ-UHFFFAOYSA-N
SMILES
COC(=O)C(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
methyl isobutyrate (
CHEBI:73689
)
has functional parent
isobutyric acid (
CHEBI:16135
)
methyl isobutyrate (
CHEBI:73689
)
has role
metabolite (
CHEBI:25212
)
methyl isobutyrate (
CHEBI:73689
)
is a
fatty acid methyl ester (
CHEBI:4986
)
IUPAC Name
methyl 2-methylpropanoate
Manual Xrefs
Databases
EP0101719
Patent
WO8302940
Patent
View more database links
Registry Numbers
Types
Sources
1740720
Reaxys Registry Number
Reaxys
547-63-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
19746921
PubMed citation
Europe PMC
Last Modified
23 October 2015