Metabolomics Structure Database

 
MW REGNO: 37659
Common Name:Guanosine diphosphate
Systematic Name:[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
RefMet Name:GDP
Synonyms: [PubChem Synonyms]
Exact Mass:
443.0243 (neutral)    Calculate m/z:
Formula:C10H15N5O11P2
InChIKey:QGWNDRXFNXRZMB-UUOKFMHZSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleotides [C0001506]
ClassyFire subclass:Purine ribonucleotides [C0001544]
ClassyFire direct parent:Purine ribonucleoside diphosphates [C0001618]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:NC1NC(=O)c2[n]c[n]([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2N=1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:135398619
CHEBI ID:17552
HMDB ID:HMDB0001201
KEGG ID:C00035
Chemspider ID:8630
METLIN ID:6077
BMRB ID:bmse000270
MetaCyc ID:GDP
NP-MRD ID(NMR):NP0000188
EPA CompTox DB:DTXCID10204370

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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