Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53708
Common Name:	2-dehydro-L-idonic acid
Systematic Name:	L-sorbosonic acid
RefMet Name:	2-Keto-L-gulonic acid
Synonyms:	2-Keto-L-gulonic acid; 2-Oxo-l-gulonic acid; 3-keto-L-Gulonic acid; L-Xylohexulosonic acid; L-xylo-2-Hexulosonic acid; L-xylo-hex-2-ulosonic acid [PubChem Synonyms]
Exact Mass:	194.0427 (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:	C6H10O7
InChIKey:	VBUYCZFBVCCYFD-NUNKFHFFSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Sugar acids and derivatives [C0000215]
MoNA MS spectra:	View MS spectra
SMILES:	C([C@@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O
Studies:	Available studies (via RefMet name)

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PubChem CID:	102424
CHEBI ID:	19543

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