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PRD_900038

Summary
Name:4-O-beta-D-galactopyranosyl-beta-D-fructofuranose
Formula:C12 H22 O11
Fomular weight:342.296
Component type:saccharide
Polymer sequences:FRU, GAL
Non-polymer components:
BIRD class:water retention
Represented as:branched
Description:oligosaccharide

ProgramVersionName
ACDLabs12.014-O-beta-D-galactopyranosyl-beta-D-fructofuranose
OpenEye OEToolkits2.0.7(2~{S},3~{R},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-4,5-bis(oxidanyl)oxolan-3-yl]oxy-6- (hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCC1C(C(O)C(O)C(O1)OC2C(OC(C2O)(O)CO)CO)O
InChIInChI1.03InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-, 9-,10+,11+,12-/m1/s1
InChIKeyInChI1.03JCQLYHFGKNRPGE-FCVZTGTOSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](O[CH]2[CH](CO)O[C](O)(CO)[CH]2O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O

222036

PDB entries from 2024-07-03

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