3-nitropropanoic acid

CHEBI:16348 ·resolve ·ANTIMYCOBACTERIAL ·EXACT SEEDED

A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.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

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:35716 CHEBI:35716

Chemical structure

Computed structure properties
Molecular formula	C3H5NO4
Charge	0
Average mass	119.076 Da
Monoisotopic mass	119.02186 Da
Source	ChEBI
InChIKey	WBLZUCOIBUDNBV-UHFFFAOYSA-N

SMILES

O=C(O)CC[N+](=O)[O-]

InChI

InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)

Also called

3-NITROPROPANOIC ACID (EXACT_SYNONYM)— chebi
3-nitropropionic acid (EXACT_SYNONYM)— chebi
Bovinocidin (EXACT_SYNONYM)— chebi
beta-Nitropropanoic acid (EXACT_SYNONYM)— chebi
beta-Nitropropionic acid (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

beilstein:1759889
cas:504-88-1
gmelin:533092
kegg.compound:C05669
knapsack:C00018684
lincs.smallmolecule:LSM-6632
pdb-ccd:3NP

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:64912 CHEBI:64912

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:16348`	3-nitropropanoic acid	`antibioticmech:chebi-f37462aae1`	2026-08-30

Mechanism summary

Mode of action: ENERGY_METABOLISM_INHIBITION host shared target — Assigned from ChEBI role CHEBI:83072 (EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor). ChEBI asserts the role on the compound. The target it names is one the host has too, so the mechanism is true but is not evidence of selectivity — see mode_of_action_target_scope. Not a curator's mechanistic review.

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.