Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37475
Common Name:	D-Xylulose 5-phosphate
Systematic Name:	{[(2R,3S)-2,3,5-trihydroxy-4-oxopentyl]oxy}phosphonic acid
RefMet Name:	Xylulose 5-phosphate
Synonyms:	[PubChem Synonyms]
Exact Mass:	230.0192 (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:	C5H11O8P
InChIKey:	FNZLKVNUWIIPSJ-RFZPGFLSSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Pentose phosphates [C0002259]
SMILES:	C(C(=O)[C@H]([C@@H](COP(=O)(O)O)O)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	439190
CHEBI ID:	16332
HMDB ID:	HMDB0000868
KEGG ID:	C00231
Chemspider ID:	388330
METLIN ID:	5829
MetaCyc ID:	XYLULOSE-5-PHOSPHATE

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