Metabolomics Structure Database

 
MW REGNO: 51097
Common Name:Puromycin
Systematic Name:3'-deoxy-N,N-dimethyl-3'-(O-methyl-L-tyrosinamido)adenosine
Synonyms:(S)-3'-((2-Amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyladenosine; 3'-(L-alpha-Amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyladenosine; 9-{3-deoxy-3-[(O-methyl-L-tyrosyl)amino]-beta-D-xylofuranosyl}-N,N-dimethyl-9H-purin-6-amine; Achromycin [PubChem Synonyms]
Exact Mass:
471.2230 (neutral)    Calculate m/z:
Formula:C22H29N7O5
InChIKey:RXWNCPJZOCPEPQ-NVWDDTSBSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleosides [C0000479]
ClassyFire subclass:Purine 3'-deoxyribonucleosides [C0002178]
ClassyFire direct parent:Purine 3'-deoxyribonucleosides [C0002178]
MoNA MS spectra:View MS spectra
SMILES:CN(C)c1c2c(ncn1)n(cn2)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)NC(=O)[C@H](Cc1ccc(cc1)OC)N)O
Studies:-

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External database links:

PubChem CID:439530
CHEBI ID:17939
EPA CompTox DB:DTXCID40197105

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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