3-nitropropanoic acid (CHEBI:16348)

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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Definition	A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.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

Supplier Information

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Formula

C3H5NO4

Net Charge

Average Mass

119.076

Monoisotopic Mass

119.02186

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.

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

Last Modified

22 March 2017