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ChEBI
> Main
CHEBI:136067 - 3-
aci
-nitropropanoate
Main
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ChEBI Name
3-
aci
-nitropropanoate
ChEBI ID
CHEBI:136067
ChEBI ASCII Name
3-aci-nitropropanoate
Definition
A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 3-
aci
-nitropropanoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Molfile
Formula
C3H4NO4
Net Charge
-1
Average Mass
118.068
Monoisotopic Mass
118.01458
InChI
InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h2H,1H2,(H,5,6)(H,7,8)/p-1
InChIKey
DCSLGQYKPBZRHI-UHFFFAOYSA-M
SMILES
O[N+]([O-])=CCC(=O)[O-]
ChEBI Ontology
Outgoing
3-
aci
-nitropropanoate (
CHEBI:136067
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
3-
aci
-nitropropanoate (
CHEBI:136067
)
is conjugate base of
3-
aci
-nitropropanoic acid (
CHEBI:16775
)
3-
aci
-nitropropanoate (
CHEBI:136067
)
is tautomer of
3-nitropropanoate (
CHEBI:59899
)
Incoming
3-
aci
-nitropropanoic acid (
CHEBI:16775
)
is conjugate acid of
3-
aci
-nitropropanoate (
CHEBI:136067
)
3-nitropropanoate (
CHEBI:59899
)
is tautomer of
3-
aci
-nitropropanoate (
CHEBI:136067
)
IUPAC Names
3-[hydroxy(oxido)-λ
5
-azanylidene]propanoate
3-
aci
-nitropropanoate
Synonym
Source
propionate 3-nitronate
UniProt
Manual Xref
Database
C03071
KEGG COMPOUND
View more database links
Last Modified
14 August 2018