Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51144
Common Name:	UDP-D-glucose
Systematic Name:	uridine 5'-[3-D-glucopyranosyl dihydrogen diphosphate]
Synonyms:	UDP-Glc; Uridine 5'-(trihydrogen diphosphate), P'-alpha-D-glucopyranosyl ester; Uridine 5'-(trihydrogen diphosphate), mono-alpha-d-glucopyranosyl ester; uridinediphosphoglucose [PubChem Synonyms]
Exact Mass:	566.0550 (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:	C15H24N2O17P2
InChIKey:	HSCJRCZFDFQWRP-RDKQLNKOSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Pyrimidine nucleotides [C0001509]
ClassyFire subclass:	Pyrimidine nucleotide sugars [C0001296]
ClassyFire direct parent:	Pyrimidine nucleotide sugars [C0001296]
Massbank MS spectra:	View MS spectra
SMILES:	c1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)O2)O)O)c(=O)[nH]c1=O
Studies:	Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439156
CHEBI ID:	18066

Calculated physicochemical properties (?):

Heavy Atoms:	36
Rings:	3
Aromatic Rings:	1
Rotatable Bonds:	9
van der Waals Molecular volume:	423.25 Å3 molecule-1
Toplogical Polar Sufrace Area:	301.13 Å2 molecule-1
Hydrogen Bond Donors:	9
Hydrogen Bond Acceptors:	18
logP:	0.05
Molar Refractivity:	113.74
Fraction sp3 Carbons:	0.73
sp3 Carbons:	11

Human Pathway links:

REACTOME pathways containing this metabolite

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