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BioLiP

PDB CCD ID: 8LR
Number of entries in BioLiP: 4
Chemical formula: C8 H16 O7
InChI: InChI=1S/C8H16O7/c9-1-2-14-8-7(13)6(12)5(11)4(3-10)15-8/h4-13H,1-3H2/t4-,5-,6+,7+,8+/m1/s1
InChIKey: SMORULFPMBCEPX-HEIBUPTGSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O(CCO)C1OC(C(O)C(O)C1O)CO
OpenEye OEToolkits 1.7.6C(COC1C(C(C(C(O1)CO)O)O)O)O
CACTVS 3.385OCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
CACTVS 3.385OCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Name:2-hydroxyethyl alpha-D-mannopyranoside;
2-hydroxyethyl alpha-D-mannoside;
2-hydroxyethyl D-mannoside;
2-hydroxyethyl mannoside
ZINC: ZINC000113321194
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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