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BioLiP

PDB CCD ID: H1M
Number of entries in BioLiP: 4
Chemical formula: C9 H18 O6
InChI: InChI=1S/C9H18O6/c1-14-9-5(2-3-10)7(12)8(13)6(4-11)15-9/h5-13H,2-4H2,1H3/t5-,6+,7+,8+,9-/m0/s1
InChIKey: FAFNJLOZTBABPO-CBHQDSPSSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(C)C1OC(C(O)C(O)C1CCO)CO
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1CCO
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CCO
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)CCO
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1CCO
Name:methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-D-mannopyranoside;
methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-D-mannoside;
methyl 2-deoxy-2-(2-hydroxyethyl)-D-mannoside;
methyl 2-deoxy-2-(2-hydroxyethyl)-mannoside
ZINC: ZINC000058631821
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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