Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52477
Common Name:	D-xylonic acid
Systematic Name:	(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoic acid
RefMet Name:	Xylonic acid
Synonyms:	[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-FLRLBIABSA-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]
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:	6602431
CHEBI ID:	48093
HMDB ID:	HMDB0059750
KEGG ID:	C00502
Plant Metabolite Hub(Pmhub):	MS000016317

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