Metabolomics Structure Database

 
MW REGNO: 43308
Common Name:Atazanavir
Systematic Name:methyl N-[(1S)-1-{N'-[(2S,3S)-2-hydroxy-3-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanamido]-4-phenylbutyl]-N'-{[4-(pyridin-2-yl)phenyl]methyl}hydrazinecarbonyl}-2,2-dimethylpropyl]carbamate
Synonyms: [PubChem Synonyms]
Exact Mass:
704.3897 (neutral)    Calculate m/z:
Formula:C38H52N6O7
InChIKey:AXRYRYVKAWYZBR-GASGPIRDSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Valine and derivatives [C0004310]
MoNA MS spectra:View spectra
Studies:Available studies

Select appropriate tab below to view additional details:

External database links:

PubChem CID:148192
CHEBI ID:37924
HMDB ID:HMDB0015205
Chemspider ID:130642
EPA CompTox DB:DTXCID90210313

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