Metabolomics Structure Database

 
MW REGNO: 37072
Common Name:Cytidine monophosphate
Systematic Name:{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
RefMet Name:CMP
Synonyms: [PubChem Synonyms]
Exact Mass:
323.0519 (neutral)    Calculate m/z:
Formula:C9H14N3O8P
InChIKey:IERHLVCPSMICTF-XVFCMESISA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Pyrimidine nucleotides [C0001509]
ClassyFire subclass:Pyrimidine ribonucleotides [C0002147]
ClassyFire direct parent:Pyrimidine ribonucleoside monophosphates [C0001620]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:NC1C=CN([C@@H]2O[C@H](COP(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:6131
CHEBI ID:17361
HMDB ID:HMDB0000095
KEGG ID:C00055
Chemspider ID:5901
METLIN ID:5143
BMRB ID:bmse000311
MetaCyc ID:CMP
NP-MRD ID(NMR):NP0000267

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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