CHEBI:16775 - 3-aci-nitropropanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-aci-nitropropanoic acid
ChEBI ID CHEBI:16775
ChEBI ASCII Name 3-aci-nitropropanoic acid
Definition An aci-nitro compound resulting from the tautomerisation of the nitro group of 3-nitropropanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1673, CHEBI:11751, CHEBI:19955
Supplier Information
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Formula C3H5NO4
Net Charge 0
Average Mass 119.076
Monoisotopic Mass 119.02186
InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h2H,1H2,(H,5,6)(H,7,8)
InChIKey DCSLGQYKPBZRHI-UHFFFAOYSA-N
SMILES O[N+]([O-])=CCC(=O)O
ChEBI Ontology
Outgoing 3-aci-nitropropanoic acid (CHEBI:16775) is a aci-nitro compound (CHEBI:136622)
3-aci-nitropropanoic acid (CHEBI:16775) is conjugate acid of 3-(dioxido-λ5-azanylidene)propanoate(2−) (CHEBI:57892)
3-aci-nitropropanoic acid (CHEBI:16775) is conjugate acid of 3-aci-nitropropanoate (CHEBI:136067)
3-aci-nitropropanoic acid (CHEBI:16775) is tautomer of 3-nitropropanoic acid (CHEBI:16348)
Incoming 3-(dioxido-λ5-azanylidene)propanoate(2−) (CHEBI:57892) is conjugate base of 3-aci-nitropropanoic acid (CHEBI:16775)
3-aci-nitropropanoate (CHEBI:136067) is conjugate base of 3-aci-nitropropanoic acid (CHEBI:16775)
3-nitropropanoic acid (CHEBI:16348) is tautomer of 3-aci-nitropropanoic acid (CHEBI:16775)
IUPAC Names
3-[hydroxy(oxido)-λ5-azanylidene]propanoic acid
3-aci-nitropropanoic acid
Synonyms Sources
3-(hydroxynitrorylidene)propanoic acid IUPAC
3-[hydroxy(oxido)imino]propanoic acid IUPAC
3-aci-Nitoropropionic acid KEGG COMPOUND
3-aci-nitropropanoic acid UniProt
3-aci-Nitropropionic acid KEGG COMPOUND
Manual Xref Database
C03071 KEGG COMPOUND
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Last Modified
22 March 2017