Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1APB

Summary
Name:2-O-sulfo-beta-D-galactopyranose
Formula:C6 H12 O9 S
Formal charge:0
Formula weight:260.219 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-O-sulfo-beta-D-galactopyranose
OpenEye OEToolkits2.0.7[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen sulfate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1OC(CO)C(O)C(O)C1OS(=O)(=O)O
InChIInChI1.06InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
InChIKeyInChI1.06MOGKHCGKIJXABF-FPRJBGLDSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@@H](O)[C@H](O[S](O)(=O)=O)[C@@H](O)[C@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)O)O)O)O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C(O1)O)OS(=O)(=O)O)O)O)O

250835

PDB entries from 2026-03-18

PDB statisticsPDBj update infoContact PDBjnumon