4-hydroxy-2-oxobutanal

CHEBI:144586 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A 2-oxo aldehyde that is 4-hydroxybutanal carrying an oxo group at position 2. It is a degradation product of vitamin C. — 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:27659 CHEBI:27659
CHEBI:55380 CHEBI:55380

Chemical structure

Computed structure properties
Molecular formula	C4H6O3
Charge	0
Average mass	102.089 Da
Monoisotopic mass	102.03169 Da
Source	ChEBI
InChIKey	CUSSNCHZLYDUPJ-UHFFFAOYSA-N

SMILES

[H]C(=O)C(=O)CCO

InChI

InChI=1S/C4H6O3/c5-2-1-4(7)3-6/h3,5H,1-2H2

Also called

3-deoxythreosone (EXACT_SYNONYM)— chebi
4-hydroxy-1,2-butanedione (EXACT_SYNONYM)— chebi
4-hydroxy-2-ketobutyraldehyde (EXACT_SYNONYM)— chebi
4-hydroxy-2-oxobutyraldehyde (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:28119-61-1

Activity roles

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

CHEBI:33282 CHEBI:33282

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:144586`	4-hydroxy-2-oxobutanal	`antibioticmech:chebi-60da6f242a`	2026-08-30

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.