BioLiP

PDB

BioLiP

PDB CCD ID:

87O

Number of entries in BioLiP:

Chemical formula:

C16 H33 O5 P

InChI:

InChI=1S/C16H33O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21-22(18,19)20/h2-15H2,1H3,(H2,18,19,20)

InChIKey:

KUIJPSLAGAQZTC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)O[P](O)(O)=O

Name:

phosphono hexadecanoate

ZINC:

ZINC000116928535

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).