Metabolomics Structure Database

 
MW REGNO: 49866
Common Name: 2',3' cyclic CMP
Systematic Name:1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-oxidanyl-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-azanyl-pyrimidin-2-one
RefMet Name:2',3' cyclic CMP
Synonyms:1-[(3aR,4R,6R,6aR)-2-hydroxy-2-keto-6-methylol-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-amino-pyrimidin-2-one [PubChem Synonyms]
Exact Mass:
305.0413 (neutral)    Calculate m/z:
Formula:C9H12N3O7P
InChIKey:NMPZCCZXCOMSDQ-AYZDMWBASA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Pyrimidine nucleotides [C0001509]
ClassyFire subclass:Cyclic pyrimidine nucleotides [C0001492]
ClassyFire direct parent:2',3'-cyclic pyrimidine nucleotides [C0001495]
MoNA MS spectra:View MS spectra
SMILES:c1cn([C@H]2C3C([C@@H](CO)O2)OP(=O)(O)O3)c(=O)nc1N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:118701015
KEGG ID:C02354
Plant Metabolite Hub(Pmhub):MS000013581

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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