BioLiP

PDB

BioLiP

PDB CCD ID:

5LD

Number of entries in BioLiP:

160

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-/m1/s1

InChIKey:

ZXKJPBBOMRHTCH-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H](Cn1cncn1)C[P](O)(O)=O
OpenEye OEToolkits 1.9.2	c1ncn(n1)CC(CP(=O)(O)O)O
CACTVS 3.385	O[CH](Cn1cncn1)C[P](O)(O)=O
ACDLabs 12.01	OP(O)(CC(O)Cn1ncnc1)=O
OpenEye OEToolkits 1.9.2	c1ncn(n1)C[C@H](CP(=O)(O)O)O

Name:

[(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid;
(R)-C348

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).