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:167881 - 2,2-dihydroxy-3-methylbutanoic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2,2-dihydroxy-3-methylbutanoic acid
ChEBI ID
CHEBI:167881
Definition
A 2-hydroxy fatty acid that is isovaleric acid bearing two hydroxy substituents at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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
C5H10O4
Net Charge
0
Average Mass
134.131
Monoisotopic Mass
134.05791
InChI
InChI=1S/C5H10O4/c1-3(2)5(8,9)4(6)7/h3,8-9H,1-2H3,(H,6,7)
InChIKey
CTMXBOCTJPQVDZ-UHFFFAOYSA-N
SMILES
CC(C)C(O)(O)C(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
2,2-dihydroxy-3-methylbutanoic acid (
CHEBI:167881
)
has functional parent
isovaleric acid (
CHEBI:28484
)
2,2-dihydroxy-3-methylbutanoic acid (
CHEBI:167881
)
is a
2-hydroxy fatty acid (
CHEBI:10283
)
2,2-dihydroxy-3-methylbutanoic acid (
CHEBI:167881
)
is conjugate acid of
2,2-dihydroxy-3-methylbutanoate (
CHEBI:167872
)
Incoming
2,2-dihydroxy-3-methylbutanoate (
CHEBI:167872
)
is conjugate base of
2,2-dihydroxy-3-methylbutanoic acid (
CHEBI:167881
)
IUPAC Name
2,2-dihydroxy-3-methylbutanoic acid
Synonyms
Sources
2,2-bis(hydroxy)isovaleric acid
ChEBI
2.2-dihydroxyisovaleric acid
ChEBI
dihydroxyisovaleric acid
Note: (2021-04-08) ambiguous synonym provided by submitter
ChEBI
Manual Xref
Database
14794392
ChemSpider
View more database links
Last Modified
08 April 2021