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BioLiP

PDB CCD ID: T45
Number of entries in BioLiP: 0
Chemical formula: C4 H5 N3 O2
InChI: InChI=1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7)
InChIKey: FZXQUCUWEZQIHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COC(=O)c1cn[nH]n1
ACDLabs 10.04O=C(OC)c1nnnc1
Name:METHYL 2H-1,2,3-TRIAZOLE-4-CARBOXYLATE
ZINC: ZINC000016052238
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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