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BioLiP

PDB CCD ID: 5DL
Number of entries in BioLiP: 8
Chemical formula: C5 H10 N3 O4 P
InChI: InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m0/s1
InChIKey: ZXKJPBBOMRHTCH-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ncn(n1)CC(CP(=O)(O)O)O
CACTVS 3.385O[CH](Cn1cncn1)C[P](O)(O)=O
ACDLabs 12.01n1cncn1CC(CP(O)(O)=O)O
CACTVS 3.385O[C@@H](Cn1cncn1)C[P](O)(O)=O
OpenEye OEToolkits 1.9.2c1ncn(n1)C[C@@H](CP(=O)(O)O)O
Name:[(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid;
(S)-C348
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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