Chemical Components in the PDB

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FNG : Summary

Code

FNG

One-letter code

X

Molecule name

5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide
OpenEye OEToolkits 1.5.0 3-nitro-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzamide

Formula

C13 H16 N2 O9

Formal charge

0

Molecular weight

344.274 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)N)c2
SMILES CACTVS 3.341 NC(=O)c1cc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc(c1)[N+]([O-])=O
SMILES OpenEye OEToolkits 1.5.0 c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)N
Canonical SMILES CACTVS 3.341 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 SMILES OpenEye OEToolkits 1.5.0 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

IUPAC InChI

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

IUPAC InChI key

BYSXBFJVGIOFBO-LNSPPBFMSA-N
FNG

wwPDB Information

Atom count

40 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-05-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned