AntibioticMech

valanimycin

CHEBI:133621 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

An azoxy compound that is acrylic acid in which the olefinic hydrogen at position 2 has been replaced by an isobutyl-ONN-azoxy group. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:37390 CHEBI:37390
• CHEBI:79020 CHEBI:79020

Chemical structure

Computed structure properties

Molecular formula	C7H12N2O3
Charge	0
Average mass	172.184 Da
Monoisotopic mass	172.08479 Da
Source	ChEBI
InChIKey	DTXMRELKPKEPSO-HJWRWDBZSA-N

SMILES

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

InChI

InChI=1S/C7H12N2O3/c1-5(2)4-9(12)8-6(3)7(10)11/h5H,3-4H2,1-2H3,(H,10,11)/b9-8-

Also called

• 2-[(2-methylpropyl)-ONN-azoxy]prop-2-enoic acid (EXACT_SYNONYM)— chebi
• 2-(Isobutyl-(ONN)azoxy)acrylic acid (EXACT_SYNONYM)— chebi
• 2-[(2-methylpropyl)-ONN-azoxy]acrylic acid (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• cas:101961-60-8
• knapsack:C00017752
• reaxys:21142834

Activity roles

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

• CHEBI:33281 CHEBI:33281

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:133621	valanimycin	antibioticmech:chebi-cf3409f789	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.