Metabolomics Structure Database

 
MW REGNO: 52750
Common Name:4-nitrophenyl-beta-D-galactoside
Systematic Name:4-nitrophenyl-beta-D-galactopyranoside
Synonyms:1-O-(4-nitrophenyl)-beta-D-galactopyranose; 1-O-(4-nitrophenyl)-beta-D-galactose; 1-O-(p-nitrophenyl)-beta-D-galactopyranose; 1-O-(p-nitrophenyl)-beta-D-galactose; 1-O-[P-Nitrophenyl]-Beta-D-Galactopyranose; 4-Nitrophenyl-beta-D-galactopyranoside; 4-Nitrophenylgalactoside; 4-nitrophenyl-beta-D-galactopyranoside; p-Nitrophenyl beta-D-galactopyranoside; p-Nitrophenyl-beta-D-galactoside [PubChem Synonyms]
Exact Mass:
301.0798 (neutral)    Calculate m/z:
Formula:C12H15NO8
InChIKey:IFBHRQDFSNCLOZ-YBXAARCKSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Phenolic glycosides [C0004165]
SMILES:c1cc(ccc1[N+](=O)[O-])O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:65115
CHEBI ID:355715
MetaCyc ID:CPD-9116

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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