CHEBI:136067 - 3-aci-nitropropanoate

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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
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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)-λ5-azanylidene]propanoate
3-aci-nitropropanoate
Synonym Source
propionate 3-nitronate UniProt
Manual Xref Database
C03071 KEGG COMPOUND
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Last Modified
14 August 2018