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BioLiP

PDB CCD ID: M3N
Number of entries in BioLiP: 2
Chemical formula: C9 H15 N3 O6
InChI: InChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8+,9+/m1/s1
InChIKey: BHGZOVXPACYZLI-DFTQBPQZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1c(nnn1[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO
CACTVS 3.385OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(CO)nn2
ACDLabs 12.01n1nn(cc1CO)C2OC(C(O)C(O)C2O)CO
CACTVS 3.385OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)n2cc(CO)nn2
OpenEye OEToolkits 1.9.2c1c(nnn1C2C(C(C(C(O2)CO)O)O)O)CO
Name:4-(hydroxymethyl)-1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazole;
4-(hydroxymethyl)-1-(alpha-D-mannosyl)-1H-1,2,3-triazole;
4-(hydroxymethyl)-1-(D-mannosyl)-1H-1,2,3-triazole;
4-(hydroxymethyl)-1-(mannosyl)-1H-1,2,3-triazole
ZINC: ZINC000034618848
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).
  • 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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