Metabolomics Structure Database

 
MW REGNO: 38302
Common Name:GDP-glucose
Systematic Name:{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid
RefMet Name:GDP-glucose
Synonyms: [PubChem Synonyms]
Exact Mass:
605.0772 (neutral)    Calculate m/z:
Formula:C16H25N5O16P2
InChIKey:MVMSCBBUIHUTGJ-LRJDVEEWSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleotides [C0001506]
ClassyFire subclass:Purine nucleotide sugars [C0001293]
ClassyFire direct parent:Purine nucleotide sugars [C0001293]
MoNA MS spectra:View MS spectra
SMILES:C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c2nc(N)[nH]c3=O)O1)O)O)O)O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:135398625
CHEBI ID:62254
HMDB ID:HMDB0003351
KEGG ID:C00394
Chemspider ID:559146
METLIN ID:6900
MetaCyc ID:GDP-D-GLUCOSE

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

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