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:15591 - 3-ethylmalic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-ethylmalic acid
ChEBI ID
CHEBI:15591
Definition
The 2-hydroxy-3-ethyl derivative of succinic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11795, CHEBI:20017, CHEBI:1501
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
C6H10O5
Net Charge
0
Average Mass
162.14060
Monoisotopic Mass
162.05282
InChI
InChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)
InChIKey
JUCRENBZZQKFGK-UHFFFAOYSA-N
SMILES
CCC(C(O)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
3-ethylmalic acid (
CHEBI:15591
)
has functional parent
succinic acid (
CHEBI:15741
)
3-ethylmalic acid (
CHEBI:15591
)
is a
2-hydroxydicarboxylic acid (
CHEBI:50263
)
3-ethylmalic acid (
CHEBI:15591
)
is conjugate acid of
3-ethylmalate(2−) (
CHEBI:57425
)
Incoming
3-ethylmalate(2−) (
CHEBI:57425
)
is conjugate base of
3-ethylmalic acid (
CHEBI:15591
)
IUPAC Name
2-ethyl-3-hydroxybutanedioic acid
Synonym
Source
3-Ethylmalate
KEGG COMPOUND
Manual Xref
Database
C01989
KEGG COMPOUND
View more database links
Last Modified
30 June 2010