Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50369
Common Name:	UDP-alpha-D-xylose
Systematic Name:	uridine 5'-[3-(alpha-D-xylopyranosyl) dihydrogen diphosphate]
Synonyms:	UDP-xylose; Udp xylose; Uridine 5'-(trihydrogen diphosphate), P'-alpha-D-xylopyranosyl ester; Uridine diphosphate xylose [PubChem Synonyms]
Exact Mass:	536.0445 (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:	C14H22N2O16P2
InChIKey:	DQQDLYVHOTZLOR-OCIMBMBZSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Pyrimidine nucleotides [C0001509]
ClassyFire subclass:	Pyrimidine ribonucleotides [C0002147]
ClassyFire direct parent:	Pyrimidine ribonucleoside diphosphates [C0001621]
Massbank MS spectra:	View MS spectra
SMILES:	c1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O2)O)O)c(=O)[nH]c1=O
Studies:	-

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	19235
CHEBI ID:	16082
HMDB ID:	HMDB0001018
MetaCyc ID:	UDP-D-XYLOSE
Plant Metabolite Hub(Pmhub):	MS000010046

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