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:58831 - iminoaspartate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
iminoaspartate
ChEBI ID
CHEBI:58831
Definition
Dicarboxylate anion arising from deprotonation of both carboxylic acid groups of iminoaspartic 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
C4H3NO4
Net Charge
-2
Average Mass
129.07090
Monoisotopic Mass
129.00730
InChI
InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)/p-2
InChIKey
NMUOATVLLQEYHI-UHFFFAOYSA-L
SMILES
[O-]C(=O)CC(=N)C([O-])=O
ChEBI Ontology
Outgoing
iminoaspartate (
CHEBI:58831
)
is a
C4-dicarboxylate (
CHEBI:61336
)
iminoaspartate (
CHEBI:58831
)
is a
dicarboxylic acid dianion (
CHEBI:28965
)
iminoaspartate (
CHEBI:58831
)
is conjugate base of
iminoaspartate(1−) (
CHEBI:77875
)
iminoaspartate (
CHEBI:58831
)
is conjugate base of
iminoaspartic acid (
CHEBI:50616
)
Incoming
iminoaspartate(1−) (
CHEBI:77875
)
is conjugate acid of
iminoaspartate (
CHEBI:58831
)
iminoaspartic acid (
CHEBI:50616
)
is conjugate acid of
iminoaspartate (
CHEBI:58831
)
IUPAC Name
2-iminobutanedioate
Synonym
Source
2-iminosuccinate
ChEBI
Last Modified
11 June 2014