CHEBI:59052 - 1,1-dihydroxy-3-ethoxy-2-butanone

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ChEBI Name 1,1-dihydroxy-3-ethoxy-2-butanone
ChEBI ID CHEBI:59052
Definition A butanone derivative having two hydroxy substituents at the 1-position and an ethoxy substituent at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
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Formula C6H12O4
Net Charge 0
Average Mass 148.15710
Monoisotopic Mass 148.07356
InChI InChI=1S/C6H12O4/c1-3-10-4(2)5(7)6(8)9/h4,6,8-9H,3H2,1-2H3
InChIKey YRCRRHNVYVFNTM-UHFFFAOYSA-N
SMILES CCOC(C)C(=O)C(O)O
Roles Classification
Application(s): antiinfective agent
A substance used in the prophylaxis or therapy of infectious diseases.
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ChEBI Ontology
Outgoing 1,1-dihydroxy-3-ethoxy-2-butanone (CHEBI:59052) has role antiinfective agent (CHEBI:35441)
1,1-dihydroxy-3-ethoxy-2-butanone (CHEBI:59052) is a aldehyde hydrate (CHEBI:63733)
1,1-dihydroxy-3-ethoxy-2-butanone (CHEBI:59052) is a butanone (CHEBI:22951)
IUPAC Name
3-ethoxy-1,1-dihydroxybutan-2-one
INNs Sources
kethoxal SUBMITTER
ketoxalum ChemIDplus
Synonyms Sources
3-Ethoxy-1,1-dihydroxy-2-butanone ChemIDplus
beta-Ethoxy-alpha-ketobutyraldehyde ChemIDplus
Chetossale ChemIDplus
Manual Xrefs Databases
3202 DrugCentral
D04651 KEGG DRUG
View more database links
Registry Numbers Types Sources
27762-78-3 CAS Registry Number ChemIDplus
27762-78-3 CAS Registry Number KEGG DRUG
8677948 Beilstein Registry Number Beilstein
Last Modified
22 February 2017