galactose

the goodman group
university of cambridge

galactose

Notes D-Galactose is a common naturally-occuring sugar

SMILES

O[C@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O

Canonical SMILES

InChI
InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
AuxInfo=1/0/N:7,1,2,3,4,5,12,8,9,11,10,6/it:im/rA:12nCCCCCOCOOOOO/rB:s1;s2;s3;s4;s1s5;P1;P2;P3;N5;N4;s7;/rC:-.7145,.4125,0;-.7145,-.4125,0;0,-.825,0;.7145,-.4125,0;.7145,.4125,0;0,.825,0;-1.4289,.825,0;-1.4289,-.825,0;0,-1.65,0;1.4289,.825,0;1.4289,-.825,0;-1.4289,1.65,0;

MInChI v0.9
MInChIxe1 C6H12O6 c7xh1xh2xh3x l8xr4xl9xr5x l10xr6xl11xr 12xh2xsh2xh1 1Hxc1H2xst2x hxc3xpxc4xpx c5xhxc6xpxsm 1xss1

Structure files

MOL file ; PDB file

Conformation
1000 step GACK search using AMBER forcefield and a continuum water model

Updated: 7 July 2006