Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	61442
Common Name:	Belinostat
Systematic Name:	(2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
Synonyms:	(2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]acrylamide; N-Hydroxy-3-(3-(phenylsulfamoyl)phenyl)prop-2-enamide; PXD101 [PubChem Synonyms]
Exact Mass:	318.0674 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C15H14N2O4S
InChIKey:	NCNRHFGMJRPRSK-MDZDMXLPSA-N
ClassyFire superclass:	Phenylpropanoids and polyketides [C0000261]
ClassyFire class:	Cinnamic acids and derivatives [C0000476]
ClassyFire subclass:	Cinnamic acids and derivatives [C0000476]
ClassyFire direct parent:	Aromatic homomonocyclic compounds
SMILES:	c1ccc(cc1)NS(=O)(=O)c1cccc(/C=C/C(=O)NO)c1
Studies:	-

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External database links:

PubChem CID:	6918638
CHEBI ID:	61076
EPA CompTox DB:	DTXCID001065310

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