Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37074
Common Name:	D-Xylose
Systematic Name:	(3R,4S,5R)-oxane-2,3,4,5-tetrol
RefMet Name:	Xylose
Synonyms:	[PubChem Synonyms]
Exact Mass:	150.0528 (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:	C5H10O5
InChIKey:	SRBFZHDQGSBBOR-IOVATXLUSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Pentoses [C0001497]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C1[C@H]([C@@H]([C@H](C(O)O1)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	135191
CHEBI ID:	53455
HMDB ID:	HMDB0000098
KEGG ID:	C00181
Chemspider ID:	119104
METLIN ID:	314
MetaCyc ID:	XYLOSE
NP-MRD ID(NMR):	NP0001416
EPA CompTox DB:	DTXCID60209350
Plant Metabolite Hub(Pmhub):	MS000002681
PhytoHub ID:	PHUB002335

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