ethyl acetoacetate
CHEBI:4893
·resolve ·ANTIBACTERIAL
·EXACT
SEEDED
An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol. — 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.
Chemical structure
Computed structure properties
| Molecular formula | C6H10O3 |
|---|
| Charge | 0 |
|---|
| Average mass | 130.143 Da |
|---|
| Monoisotopic mass | 130.06299 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
|---|
SMILES
CCOC(=O)CC(C)=O
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
Also called
- ethyl 3-oxobutanoate (EXACT_SYNONYM)— chebi
- 1-ethoxybutane-1,3-dione (EXACT_SYNONYM)— chebi
- 3-ketobutyric acid ethyl ester (EXACT_SYNONYM)— chebi
- 3-oxobutanoic acid ethyl ester (EXACT_SYNONYM)— chebi
- 3-oxobutyric acid ethyl ester (EXACT_SYNONYM)— chebi
- acetoacetic acid ethyl ester (EXACT_SYNONYM)— chebi
- active acetyl acetate (EXACT_SYNONYM)— chebi
- diacetic ether (EXACT_SYNONYM)— chebi
- ethyl 3-oxidanylidenebutanoate (EXACT_SYNONYM)— chebi
- ethyl 3-oxobutyrate (EXACT_SYNONYM)— chebi
- ethyl acetyl acetate (EXACT_SYNONYM)— chebi
- ethyl acetylacetate (EXACT_SYNONYM)— chebi
- ethyl acetylacetonate (EXACT_SYNONYM)— chebi
- ethyl β-ketobutyrate (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:141-97-9
- chemspider:13865426
- foodb.food:FDB003241
- hmdb:HMDB0031216
- kegg.compound:C03500
- metacyc.compound:ETHYL-ACETOACETATE
- pdb-ccd:EAC
- reaxys:385838
- wikipedia.en:Ethyl_acetoacetate
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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:4893 |
ethyl acetoacetate |
antibioticmech:chebi-323580a4e0 |
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.