Metabolomics Structure Database

 
MW REGNO: 150892
Common Name:CAN-508
Systematic Name:4-[(1E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenol
Synonyms: [PubChem Synonyms]
Exact Mass:
218.0916 (neutral)    Calculate m/z:
Formula:C9H10N6O
InChIKey:AYZRKFOEZQBUEA-OUKQBFOZSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenols [C0000134]
ClassyFire subclass:1-hydroxy-2-unsubstituted benzenoids [C0004646]
SMILES:c1cc(ccc1/N=N/c1c(N)[nH]nc1N)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:135398514
Drugbank ID:DB07731

Calculated physicochemical properties:

No data available

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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