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BioLiP Library

PDB CCD ID: A0V
Number of entries in BioLiP: 4
Chemical formula: C4 H7 B N3 O7 P
InChI: InChI=1S/C4H7BN3O7P/c9-4(10)3-1-8(7-6-3)2-5(11)15-16(12,13)14/h1,11H,2H2,(H,9,10)(H2,12,13,14)
InChIKey: AEBNZGMSDDIREX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OB(Cn1cc(nn1)C(O)=O)O[P](O)(O)=O
ACDLabs 12.01C(B(OP(O)(O)=O)O)n1nnc(c1)C(O)=O
OpenEye OEToolkits 2.0.6B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O
Name:1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
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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