BioLiP

PDB

BioLiP

PDB CCD ID:

4S7

Number of entries in BioLiP:

Chemical formula:

C21 H45 N3 O3 P

InChI:

InChI=1S/C21H44N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-28(25,26)21-18-19-23-24-22/h22H,2-21H2,1H3/p+1

InChIKey:

ZBOFNSYOCJATLZ-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O
CACTVS 3.385	CCCCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=N
ACDLabs 12.01	C(CP(O)(=O)OCCCCCCCCCCCCCCCCCC)C\N=[N+]=N

Name:

1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium;
octadecyl hydrogen (R)-(3-azidopropyl)phosphonate

ZINC:

ZINC000584905060

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).