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BioLiP

PDB CCD ID: GU8
Number of entries in BioLiP: 0
Chemical formula: C9 H18 O6
InChI: InChI=1S/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6?,7+,8-,9-/m1/s1
InChIKey: LXJBARMBDDODTG-SRBFPGQKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COC[C@H]1O[C@@H](O)[C@H](OC)[C@@H](OC)[C@@H]1O
OpenEye OEToolkits 1.5.0COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O
CACTVS 3.341COC[CH]1O[CH](O)[CH](OC)[CH](OC)[CH]1O
OpenEye OEToolkits 1.5.0COCC1C(C(C(C(O1)O)OC)OC)O
ACDLabs 10.04O(C)C1C(OC)C(O)C(OC1O)COC
Name:2,3,6-tri-O-methyl-beta-D-glucopyranose;
2,3,6-tri-O-methyl-beta-D-glucose;
2,3,6-tri-O-methyl-D-glucose;
2,3,6-tri-O-methyl-glucose
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).
  • 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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