BioLiP

PDB

BioLiP

PDB CCD ID:

1QX

Number of entries in BioLiP:

Chemical formula:

C15 H32 N3 O3 P

InChI:

InChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h2-15H2,1H3,(H,19,20)

InChIKey:

AGXZEEFRFDZECI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
ACDLabs 12.01	[N-]=[N+]=N\CCCP(=O)(OCCCCCCCCCCCC)O
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O

Name:

dodecyl hydrogen (S)-(3-azidopropyl)phosphonate

ZINC:

ZINC000098208011

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).