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BioLiP

PDB CCD ID: 5GO
Number of entries in BioLiP: 0
Chemical formula: C12 H22 O14 S
InChI: InChI=1S/C12H22O14S/c13-1-3-5(15)10(26-27(20,21)22)8(18)12(24-3)25-9-4(2-14)23-11(19)7(17)6(9)16/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1
InChIKey: ZMPFTLRVVIHHOO-QFKDBGNMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)OS(=O)(=O)O)O)O
ACDLabs 12.01C1(C(C(C(C(CO)O1)O)OS(=O)(O)=O)O)OC2C(C(C(O)OC2CO)O)O
CACTVS 3.385OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O[S](O)(=O)=O)[C@H]1O
OpenEye OEToolkits 1.9.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O
Name:4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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