Metabolomics Structure Database

 
MW REGNO: 37660
Common Name:dCMP
Systematic Name:{[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
RefMet Name:dCMP
Synonyms: [PubChem Synonyms]
Exact Mass:
307.0569 (neutral)    Calculate m/z:
Formula:C9H14N3O7P
InChIKey:NCMVOABPESMRCP-SHYZEUOFSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Pyrimidine nucleotides [C0001509]
ClassyFire subclass:Pyrimidine deoxyribonucleotides [C0002148]
ClassyFire direct parent:Pyrimidine 2'-deoxyribonucleoside monophosphates [C0002158]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:13945
CHEBI ID:15918
HMDB ID:HMDB0001202
KEGG ID:C00239
Chemspider ID:13343
METLIN ID:6078
MetaCyc ID:DCMP
NP-MRD ID(NMR):NP0000773
Plant Metabolite Hub(Pmhub):MS000000122

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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