Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	78600
Common Name:	2,3-Dimethylmaleate
Systematic Name:	2,3-Dimethylmaleic acid
RefMet Name:	Dimethyl maleate
Synonyms:	[PubChem Synonyms]
Exact Mass:	144.0423 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C6H8O4
InChIKey:	CGBYBGVMDAPUIH-ARJAWSKDSA-N
ClassyFire superclass:	Organic acids
ClassyFire subclass:	Carboxylic acids
ClassyFire direct parent:	Tricarboxylic acids
SMILES:	C/C(=C(C)/C(=O)O)/C(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	3032309
CHEBI ID:	23812
HMDB ID:	HMDB0036232
KEGG ID:	C00922
Plant Metabolite Hub(Pmhub):	MS000021251

Calculated physicochemical properties:

No data available

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y