CHEBI:16348 - 3-nitropropanoic acid

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ChEBI Name 3-nitropropanoic acid
ChEBI ID CHEBI:16348
Definition A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39918, CHEBI:1611, CHEBI:11864, CHEBI:20145, CHEBI:22852, CHEBI:28336, CHEBI:10434
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Formula C3H5NO4
Net Charge 0
Average Mass 119.076
Monoisotopic Mass 119.022
InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
InChIKey WBLZUCOIBUDNBV-UHFFFAOYSA-N
SMILES OC(CC[N+]([O-])=O)=O
Roles Classification
Biological Role(s): neurotoxin
A poison that interferes with the functions of the nervous system.
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
An EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor that interferes with the action of succinate dehydrogenase (quinone), EC 1.3.5.1.
antimycobacterial drug
A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
mycotoxin
Poisonous substance produced by fungi.
Application(s): antimycobacterial drug
A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
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ChEBI Ontology
Outgoing 3-nitropropanoic acid (CHEBI:16348) has functional parent propionic acid (CHEBI:30768)
3-nitropropanoic acid (CHEBI:16348) has role antimycobacterial drug (CHEBI:64912)
3-nitropropanoic acid (CHEBI:16348) has role EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor (CHEBI:83072)
3-nitropropanoic acid (CHEBI:16348) has role mycotoxin (CHEBI:25442)
3-nitropropanoic acid (CHEBI:16348) has role neurotoxin (CHEBI:50910)
3-nitropropanoic acid (CHEBI:16348) is a C-nitro compound (CHEBI:35716)
3-nitropropanoic acid (CHEBI:16348) is conjugate acid of 3-nitropropanoate (CHEBI:59899)
3-nitropropanoic acid (CHEBI:16348) is tautomer of 3-aci-nitropropanoic acid (CHEBI:16775)
Incoming 3-nitropropanoate (CHEBI:59899) is conjugate base of 3-nitropropanoic acid (CHEBI:16348)
3-aci-nitropropanoic acid (CHEBI:16775) is tautomer of 3-nitropropanoic acid (CHEBI:16348)
IUPAC Name
3-nitropropanoic acid
Synonyms Sources
3-NITROPROPANOIC ACID PDBeChem
3-nitropropanoic acid UniProt
3-nitropropionic acid ChemIDplus
beta-Nitropropanoic acid KEGG COMPOUND
beta-Nitropropionic acid KEGG COMPOUND
Bovinocidin ChemIDplus
Manual Xrefs Databases
3NP PDBeChem
C00018684 KNApSAcK
C05669 KEGG COMPOUND
LSM-6632 LINCS
View more database links
Registry Numbers Types Sources
1759889 Beilstein Registry Number ChemIDplus
504-88-1 CAS Registry Number ChemIDplus
533092 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
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Last Modified
22 March 2017