Chemical Components in the PDB

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FMG : Summary

Code

FMG

One-letter code

G

Molecule name

2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium
OpenEye OEToolkits 1.5.0 [(2R,3R,4S,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-7-ium-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C11 H16 F N5 O7 P

Formal charge

1

Molecular weight

380.246 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3F)COP(=O)(O)O)C
SMILES CACTVS 3.341 C[n+]1cn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F)c3N=C(N)NC(=O)c13
SMILES OpenEye OEToolkits 1.5.0 C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)F
Canonical SMILES CACTVS 3.341 C[n+]1cn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]2F)c3N=C(N)NC(=O)c13
Canonical SMILES OpenEye OEToolkits 1.5.0 C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F

IUPAC InChI

InChI=1S/C11H15FN5O7P/c1-16-3-17(8-6(16)9(19)15-11(13)14-8)10-5(12)7(18)4(24-10)2-23-25(20,21)22/h3-5,7,10,18H,2H2,1H3,(H4-,13,14,15,19,20,21,22)/p+1/t4-,5+,7-,10-/m1/s1

IUPAC InChI key

JUZJEHBSRYAJTC-GQTRHBFLSA-O
FMG

wwPDB Information

Atom count

41 (25 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

DG

Defined at

2008-06-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned