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BioLiP Library

PDB CCD ID: DEG
Number of entries in BioLiP: 3
Chemical formula: C10 H20 O6
InChI: InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9+,10+/m1/s1
InChIKey: BZANQLIRVMZFOS-ZJDVBMNYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0CCCCOC1C(C(C(C(O1)CO)O)O)O
OpenEye OEToolkits 1.5.0CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O(CCCC)C1OC(C(O)C(O)C1O)CO
Name:butyl alpha-D-mannopyranoside;
BUTYL-A-D-MANNOSE;
butyl alpha-D-mannoside;
butyl D-mannoside;
butyl mannoside
ChEMBL: CHEMBL1170454
ZINC: ZINC000016051536
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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