SEQ2FUN

BioLiP

PDB CCD ID: LZ0
Number of entries in BioLiP: 3
Chemical formula: C11 H17 N3 O6
InChI: InChI=1S/C11H17N3O6/c1-6-8(16)9(17)10(18)11(20-6)19-5-7-4-12-13-14(7)2-3-15/h3-4,6,8-11,16-18H,2,5H2,1H3/t6-,8+,9+,10-,11+/m0/s1
InChIKey: VXMWUAUJLLGYLQ-GDWDKGMLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)OCc2cnnn2CC=O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2CC=O)O)O)O
CACTVS 3.341C[C@@H]1O[C@@H](OCc2cnnn2CC=O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04O=CCn1nncc1COC2OC(C(O)C(O)C2O)C
CACTVS 3.341C[CH]1O[CH](OCc2cnnn2CC=O)[CH](O)[CH](O)[CH]1O
Name:[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside;
[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactoside;
[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-L-galactoside;
[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-galactoside
ZINC: ZINC000058650151
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • 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).