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BioLiP

PDB CCD ID: KBA
Number of entries in BioLiP: 2
Chemical formula: C10 H17 N3 O5
InChI: InChI=1S/C10H17N3O5/c1-6-7(14)8(15)9(16)10(18-6)17-5-4-13-3-2-11-12-13/h2-3,6-10,14-16H,4-5H2,1H3/t6-,7+,8+,9-,10+/m0/s1
InChIKey: AQLGVIQGWAYMPY-LOLPMWEVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@H]1O[C@@H](OCCn2ccnn2)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCn2ccnn2)O)O)O
OpenEye OEToolkits 2.0.6CC1C(C(C(C(O1)OCCn2ccnn2)O)O)O
CACTVS 3.385C[CH]1O[CH](OCCn2ccnn2)[CH](O)[CH](O)[CH]1O
Name:2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside;
(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol;
2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactoside;
2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-L-galactoside;
2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-galactoside
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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