Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

PRD_900074

Summary
Name:4-DEOXYLACTOSE
Formula:C12 H22 O10
Fomular weight:326.297
Component type:saccharide
Polymer sequences:BGC, Z9D
Non-polymer components:
BIRD class:Nutrient
Represented as:branched
Description:oligosaccharide

ProgramVersionName
ACDLabs10.044-O-(4-deoxy-beta-D-xylo-hexopyranosyl)-beta-D-glucopyranose
OpenEye OEToolkits1.5.0(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC2C(OC1OC(CO)CC(O)C1O)C(OC(O)C2O)CO
SMILES_CANONICALCACTVS3.341OC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O1)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO
SMILESCACTVS3.341OC[CH]1C[CH](O)[CH](O)[CH](O1)O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO
SMILESOpenEye OEToolkits1.5.0C1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)O)CO)CO
InChIInChI1.03InChI=1S/C12H22O10/c13-2-4-1-5(15)7(16)12(20-4)22-10-6(3-14)21-11(19)9(18)8(10)17/h4-19H,1-3H2/t4-,5-,6+,7+,8+,9+,10+,1 1+,12-/m0/s1
InChIKeyInChI1.03DSYGIMVFFQCOQZ-KYYLAPRMSA-N

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon