Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	78534
Common Name:	D-Lyxonic acid
Systematic Name:	(2S,3S,4R)-2,3,4,5-tetrahydroxypentanoic acid
RefMet Name:	D-Lyxonic acid
Synonyms:	Lyxonic acid [PubChem Synonyms]
Exact Mass:	166.0477 (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:	C5H10O6
InChIKey:	QXKAIJAYHKCRRA-UZBSEBFBSA-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]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	152955
CHEBI ID:	134538
Chemspider ID:	134810
NP-MRD ID(NMR):	NP0002637

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