Metabolomics Structure Database

 
MW REGNO: 37863
Common Name:CDP
Systematic Name:[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
RefMet Name:CDP
Synonyms: [PubChem Synonyms]
Exact Mass:
403.0182 (neutral)    Calculate m/z:
Formula:C9H15N3O11P2
InChIKey:ZWIADYZPOWUWEW-XVFCMESISA-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
NP-MRD NMR spectra:View NMR spectra
SMILES:NC1C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N=1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:6132
CHEBI ID:17239
HMDB ID:HMDB0001546
KEGG ID:C00112
Chemspider ID:5902
METLIN ID:6313
BMRB ID:bmse000272
MetaCyc ID:CDP
NP-MRD ID(NMR):NP0000717
Plant Metabolite Hub(Pmhub):MS000009860

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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