Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67357
Common Name:	(E)-2,3-dihydroxybut-2-enedioic acid
Systematic Name:	(E)-2,3-dihydroxybut-2-enedioic acid
RefMet Name:	(E)-2,3-Dihydroxybut-2-enedioic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	148.0008 (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:	C4H4O6
InChIKey:	BZCOSCNPHJNQBP-OWOJBTEDSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
SMILES:	C(=C(\C(=O)O)/O)(/C(=O)O)\O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	54678503
KEGG ID:	C00975
Plant Metabolite Hub(Pmhub):	MS000017042

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