BioLiP

PDB

BioLiP

PDB CCD ID:

UKD

Number of entries in BioLiP:

Chemical formula:

C5 H9 N4 O5 P

InChI:

InChI=1S/C5H9N4O5P/c6-3(5(10)11)1-9-2-4(7-8-9)15(12,13)14/h2-3H,1,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1

InChIKey:

ANOPRINJTAMRJE-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(nnn1CC(C(=O)O)N)P(=O)(O)O
OpenEye OEToolkits 2.0.7	c1c(nnn1C[C@@H](C(=O)O)N)P(=O)(O)O
CACTVS 3.385	N[C@@H](Cn1cc(nn1)[P](O)(O)=O)C(O)=O
ACDLabs 12.01	OP(=O)(O)c1nnn(c1)CC(N)C(O)=O
CACTVS 3.385	N[CH](Cn1cc(nn1)[P](O)(O)=O)C(O)=O

Name:

3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine;
pHis

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).