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

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diethyl 2-methyl-3-oxosuccinate

	Properties	Image
MNX_ID	MNXM487048
reference	chebi:16879
formula	C₉H₁₄O₅
global charge	0
mol weight	202.206
InChIKey	OQOCQBJWOCRPQY-UHFFFAOYSA-N
InChI	InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3
SMILES	CCOC(=O)C(=O)C(C)C(=O)OCC

MNX internals

InChI (mnx)	InChI=1/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3/t6?
SMILES (mnx)	[CH3:1][CH2:4][O:13][C:8]([CH:6]([CH3:3])[C:7]([C:9](=[O:12])[O:14][CH2:5][CH3:2])=[O:10])=[O:11]

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:16879 chebi:16879 OQOCQBJWOCRPQY-UHFFFAOYSA-N	diethyl 2-methyl-3-oxosuccinate Diethyl 2-methyl-3-oxosuccinate Diethyl 2-methyloxosuccinate Diethyl 3-methyl-2-oxosuccinate Diethyl methyloxobutanedioate Diethyl oxalpropionate Ethyl alpha-ethoxalylpropionate diethyl 2-methyl-3-oxobutanedioate
kegg.compound:C04067 keggC:C04067 OQOCQBJWOCRPQY-UHFFFAOYSA-N	Diethyl 2-methyl-3-oxosuccinate Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester Diethyl oxalpropionate
hmdb:HMDB0032306 OQOCQBJWOCRPQY-UHFFFAOYSA-N	Diethyl oxalpropionate 1,4-diethyl 2-methyl-3-oxobutanedioate Butanedioate, 2-methyl-3-oxo-, 1,4-diethyl ester Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester Butanedioic acid, 2-methyl-3-oxo-, diethyl ester Butanedioic acid, methyloxo-, diethyl ester DIETHYL-2-methyl-3-oxosuccinATE Diethyl 2-methyl-3-oxobutanedioate Diethyl 2-methyl-3-oxosuccinate Diethyl 2-methyl-3-oxosuccinic acid Diethyl 2-methyloxosuccinate Diethyl 2-methyloxosuccinic acid Diethyl 3-methyl-2-oxosuccinate Diethyl 3-methyl-2-oxosuccinic acid Diethyl methyloxobutanedioate Diethyl methyloxobutanedioic acid Diethyl oxalpropionic acid Ethyl a-ethoxalylpropionate Ethyl a-ethoxalylpropionic acid Ethyl alpha-ethoxalylpropionate Ethyl alpha-ethoxalylpropionic acid Methyloxalacetic acid diethyl ester Oxalacetic acid, methyl-, diethyl ester Oxalacetic acid, methyl-, diethyl ester (8ci) Propanoic acid, 2-(ethoxyoxoacetyl)-, ethyl ester diethyl oxalpropionate
seed.compound:cpd02515 seedM:cpd02515 OQOCQBJWOCRPQY-UHFFFAOYSA-N	Diethyl oxalpropionate Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester Diethyl 2-methyl-3-oxosuccinate diethyl-2-methyl-3-oxosuccinate
metacyc.compound:DIETHYL-2-METHYL-3-OXOSUCCINATE metacycM:DIETHYL-2-METHYL-3-OXOSUCCINATE OQOCQBJWOCRPQY-UHFFFAOYSA-N	diethyl-2-methyl-3-oxosuccinate
hmdb:HMDB32306 chebi:14141 chebi:23709 chebi:4523 keggC:M_C04067 seedM:M_cpd02515	secondary/obsolete/fantasy identifier