Metabolomics Structure Database

 
MW REGNO: 37065
Common Name:Cytidine triphosphate
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](hydroxy)phosphoryl}oxy)phosphonic acid
RefMet Name:CTP
Synonyms: [PubChem Synonyms]
Exact Mass:
482.9845 (neutral)    Calculate m/z:
Formula:C9H16N3O14P3
InChIKey:PCDQPRRSZKQHHS-XVFCMESISA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Pyrimidine nucleotides [C0001509]
ClassyFire subclass:Pyrimidine ribonucleotides [C0002147]
ClassyFire direct parent:Pyrimidine ribonucleoside triphosphates [C0001622]
MoNA 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)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N=1
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:6176
CHEBI ID:17677
HMDB ID:HMDB0000082
KEGG ID:C00063
Chemspider ID:5941
METLIN ID:5136
BMRB ID:bmse000277
MetaCyc ID:CTP
NP-MRD ID(NMR):NP0000183

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

  logo