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BioLiP Library

PDB CCD ID: 96O
Number of entries in BioLiP: 1
Chemical formula: C10 H17 N3 O6
InChI: InChI=1S/C10H17N3O6/c1-13-2-5(11-12-13)4-18-10-9(17)8(16)7(15)6(3-14)19-10/h2,6-10,14-17H,3-4H2,1H3/t6-,7-,8+,9+,10+/m1/s1
InChIKey: GTGCGDYGALMCDQ-ZJDVBMNYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1cc(nn1)COC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.385Cn1cc(CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)nn1
ACDLabs 12.01C2(C(C(C(OCc1nnn(C)c1)OC2CO)O)O)O
CACTVS 3.385Cn1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1
OpenEye OEToolkits 2.0.6Cn1cc(nn1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Name:(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside;
(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannoside;
(1-methyl-1H-1,2,3-triazol-4-yl)methyl D-mannoside;
(1-methyl-1H-1,2,3-triazol-4-yl)methyl mannoside
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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