MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ethyl 3-oxobutanoate

	Properties	Image
MNX_ID	MNXM17598
reference	chebi:4893
formula	C₆H₁₀O₃
global charge	0
mol weight	130.143
InChIKey	XYIBRDXRRQCHLP-UHFFFAOYSA-N
InChI	InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
SMILES	CCOC(=O)CC(C)=O

MNX internals

InChI (mnx)	InChI=1/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][O:9][C:6]([CH2:4][C:5]([CH3:2])=[O:7])=[O:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4893 chebi:4893 XYIBRDXRRQCHLP-UHFFFAOYSA-N	ethyl 3-oxobutanoate 1-ethoxybutane-1,3-dione 3-ketobutyric acid ethyl ester 3-oxobutanoic acid ethyl ester 3-oxobutyric acid ethyl ester acetoacetic acid ethyl ester active acetyl acetate diacetic ether ethyl 3-oxidanylidenebutanoate ethyl 3-oxobutyrate ethyl acetoacetate ethyl acetyl acetate ethyl acetylacetate ethyl acetylacetonate ethyl beta-ketobutyrate
sabiork.compound:6668 sabiorkM:6668 kegg.compound:C03500 keggC:C03500 XYIBRDXRRQCHLP-UHFFFAOYSA-N	Ethyl 3-oxobutanoate Ethyl acetoacetate
hmdb:HMDB0031216 XYIBRDXRRQCHLP-UHFFFAOYSA-N	Ethyl acetoacetate 1-Ethoxybutane-1,3-dione 3-Ketobutyrate ethyl ester 3-Ketobutyric acid ethyl ester 3-Oxobutanoate ethyl ester 3-Oxobutanoic acid ethyl ester 3-Oxobutyrate ethyl ester 3-Oxobutyric acid ethyl ester Acetoacetate ethyl ester Acetoacetic acid ethyl ester Active acetyl acetate Active acetyl acetic acid Diacetic ether EAA Ethyl 3-hydroxy-2-butenoate Ethyl 3-oxidanylidenebutanoate Ethyl 3-oxidanylidenebutanoic acid Ethyl 3-oxobutanoate Ethyl 3-oxobutanoic acid Ethyl 3-oxobutyrate Ethyl 3-oxobutyric acid Ethyl acetoacetate, 1,2-(14)C-labeled Ethyl acetoacetate, 1,3-(14)C-labeled Ethyl acetoacetate, 14c4-labeled Ethyl acetoacetate, 2,4-(14)C-labeled Ethyl acetoacetate, 2-(14)C-labeled Ethyl acetoacetate, 3-(14)C-labeled Ethyl acetoacetic acid Ethyl acetyl acetate Ethyl acetyl acetic acid Ethyl acetylacetate Ethyl acetylacetic acid Ethyl acetylacetonate Ethyl acetylacetonic acid Ethyl b-ketobutyrate Ethyl b-ketobutyric acid Ethyl beta-ketobutyrate Ethyl beta-ketobutyric acid FEMA 2415 ethyl 3-oxobutanoate ethyl acetoacetate
seed.compound:cpd02206 seedM:cpd02206 XYIBRDXRRQCHLP-UHFFFAOYSA-N	Ethyl acetoacetate 3-oxobutanoic acid ethyl ester Ethyl 3-oxobutanoate acetoacetic acid, ethyl ester active acetyl acetate butanoic acid, 3-oxo-ethyl ester diacetic ether ethyl 3-oxobutanoate ethyl 3-oxobutyrate ethyl acetoacetate ethyl acetylacetate ethyl acetylacetonate ethyl beta-ketobutyrate ethyl-acetoacetate
metacyc.compound:ETHYL-ACETOACETATE metacycM:ETHYL-ACETOACETATE XYIBRDXRRQCHLP-UHFFFAOYSA-N	ethyl-acetoacetate 3-oxobutanoic acid ethyl ester acetoacetic acid, ethyl ester active acetyl acetate butanoic acid, 3-oxo-ethyl ester diacetic ether ethyl 3-oxobutanoate ethyl 3-oxobutyrate ethyl acetoacetate ethyl acetylacetate ethyl acetylacetonate ethyl beta-ketobutyrate
hmdb:HMDB0031218 hmdb:HMDB31216 hmdb:HMDB31218 keggC:M_C03500 seedM:M_cpd02206	secondary/obsolete/fantasy identifier