FNG

5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside

Created:2002-05-09
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count5
Bond Count41
Aromatic Bond Count6
2D diagram of FNG

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Chemical Component Summary

Name5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside
Synonyms5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSE; 5-aminocarbonyl-3-nitrophenyl alpha-D-galactoside; 5-aminocarbonyl-3-nitrophenyl D-galactoside; 5-aminocarbonyl-3-nitrophenyl galactoside
Systematic Name (OpenEye OEToolkits)3-nitro-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzamide
FormulaC13 H16 N2 O9
Molecular Weight344.274
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)N)c2
SMILESCACTVS3.341NC(=O)c1cc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc(c1)[N+]([O-])=O
SMILESOpenEye OEToolkits1.5.0c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)N
Canonical SMILESCACTVS3.341 NC(=O)c1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(c1)[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N
InChIInChI1.03 InChI=1S/C13H16N2O9/c14-12(20)5-1-6(15(21)22)3-7(2-5)23-13-11(19)10(18)9(17)8(4-16)24-13/h1-3,8-11,13,16-19H,4H2,(H2,14,20)/t8-,9+,10+,11-,13+/m1/s1
InChIKeyInChI1.03 BYSXBFJVGIOFBO-LNSPPBFMSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02802 
Name3-(alpha-D-Galactopyranosyloxy)-5-nitrobenzamide
Groups experimental
Synonyms
  • 5-aminocarbonyl-3-nitrophenyl-alpha-D-galactopyranose
  • 3-(α-D-Galactopyranosyloxy)-5-nitrobenzamide
  • 3-(alpha-D-Galactopyranosyloxy)-5-nitrobenzamide

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Cholera enterotoxin subunit BMIKLKFGVFFTVLLSSAYAHGTPQNITDLCAEYHNTQIYTLNDKIFSYTE...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 446958