BioLiP

PDB

BioLiP

PDB CCD ID:

1R1

Number of entries in BioLiP:

Chemical formula:

C19 H40 N3 O3 P

InChI:

InChI=1S/C19H40N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-26(23,24)19-16-17-21-22-20/h2-19H2,1H3,(H,23,24)

InChIKey:

HEAPPSCQSYJNSZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O
CACTVS 3.370	CCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
ACDLabs 12.01	[N-]=[N+]=N\CCCP(=O)(OCCCCCCCCCCCCCCCC)O

Name:

hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate

ZINC:

ZINC000098208013

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).