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A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.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

Label unavailable 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

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Activity roles

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

antimycobacterial drug 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 (YAML).

Explore across X-Mech: MediaIngredientMech (3-nitropropanoic acid) · CultureMech · NaturalProductMech · PathwayMech · TraitMech