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CHEBI:355715 - 4-nitrophenyl-β-D-galactoside

ChEBI IDCHEBI:355715
ChEBI Name4-nitrophenyl-β-D-galactoside
Stars
ASCII Name4-nitrophenyl-beta-D-galactoside
DefinitionA β-D-galactopyranoside having a 4-nitrophenyl substituent at the anomeric position.
Secondary ChEBI IDCHEBI:39586
Last Modified25 October 2017
DownloadsMolfile
FormulaC12H15NO8
Net Charge0
Average Mass301.251
Monoisotopic Mass301.07977
SMILESO=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
InChIKeyIFBHRQDFSNCLOZ-YBXAARCKSA-N
Roles Classification
Biological Role:
affinity label  An enzyme inhibitor, generally irreversible, that is similar in structure to a particular substrate for a specific enzyme.
ChEBI Ontology
Outgoing Relation(s)
4-nitrophenyl-β-D-galactoside (CHEBI:355715) has role affinity label (CHEBI:60788)
4-nitrophenyl-β-D-galactoside (CHEBI:355715) is a monosaccharide derivative (CHEBI:63367)
4-nitrophenyl-β-D-galactoside (CHEBI:355715) is a β-D-galactoside (CHEBI:28034)
IUPAC Name 
4-nitrophenyl-β-D-galactopyranoside
Synonyms  Source
1-O-(4-nitrophenyl)-β-D-galactopyranoseChEBI
1-O-(4-nitrophenyl)-β-D-galactoseChEBI
1-O-(p-nitrophenyl)-β-D-galactopyranoseChEBI
1-O-(p-nitrophenyl)-β-D-galactoseChEBI
1-O-[P-Nitrophenyl]-Beta-D-GalactopyranoseDrugBank
1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEPDBeChem
Manual XrefsDatabases
147PDBeChem
C04452KEGG COMPOUND
DB02632DrugBank
Registry NumbersSources
Reaxys:92213Reaxys
CAS:3150-24-1ChemIDplus
Citations