Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:59052 - 1,1-dihydroxy-3-ethoxy-2-butanone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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.
View more via ChEBI Ontology
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