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

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oxaloacetate 4-methyl ester

	Properties	Image
MNX_ID	MNXM4758
reference	chebi:57927
formula	C₅H₅O₅
global charge	-1
mol weight	145.09
InChIKey	MAIRDOOJJIGWBJ-UHFFFAOYSA-M
InChI	InChI=1S/C5H6O5/c1-10-4(7)2-3(6)5(8)9/h2H2,1H3,(H,8,9)/p-1
SMILES	COC(=O)CC(=O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H6O5/c1-10-4(7)2-3(6)5(8)9/h2H2,1H3,(H,8,9)
SMILES (mnx)	[CH3:1][O:10][C:4]([CH2:2][C:3]([C:5]([OH:8])=[O:9])=[O:6])=[O:7]

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:57927 chebi:57927 MAIRDOOJJIGWBJ-UHFFFAOYSA-M	oxaloacetate 4-methyl ester 4-methoxy-2,4-dioxobutanoate oxaloacetate 4-methyl ester anion oxaloacetate 4-methyl ester(1-)
kegg.compound:C03716 keggC:C03716 MAIRDOOJJIGWBJ-UHFFFAOYSA-N	Oxaloacetate 4-methyl ester
seed.compound:cpd02330 seedM:cpd02330 MAIRDOOJJIGWBJ-UHFFFAOYSA-M	Oxaloacetate 4-methyl ester oxaloacetate 4-methyl ester
envipath:...143358e5a276 envipathM:...143358e5a276 MAIRDOOJJIGWBJ-UHFFFAOYSA-M	compound 0058136
metacyc.compound:CPD-521 metacycM:CPD-521 MAIRDOOJJIGWBJ-UHFFFAOYSA-M	oxaloacetate 4-methyl ester
CHEBI:16859 chebi:16859 MAIRDOOJJIGWBJ-UHFFFAOYSA-N	oxaloacetic acid 4-methyl ester 4-methoxy-2,4-dioxobutanoic acid Oxaloacetate 4-methyl ester
chebi:14704 chebi:25732 chebi:7813 keggC:M_C03716 seedM:M_cpd02330	secondary/obsolete/fantasy identifier