BioLiP

PDB

BioLiP

PDB CCD ID:

MF1

Number of entries in BioLiP:

Chemical formula:

C29 H47 O4 P

InChI:

InChI=1S/C29H47O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-33-29(34(30,31)32)28-24-20-22-26-21-17-18-23-27(26)28/h17-18,20-24,29H,2-16,19,25H2,1H3,(H2,30,31,32)/t29-/m0/s1

InChIKey:

IIAOXWLLPSQBBO-LJAQVGFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)P(=O)(O)O
ACDLabs 12.01	CCCCCCCCCCCCCCCCCCOC(P(O)(O)=O)c1cccc2c1cccc2
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCCCCOC(c1cccc2c1cccc2)P(=O)(O)O
CACTVS 3.385	CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2ccccc12)[P](O)(O)=O
CACTVS 3.385	CCCCCCCCCCCCCCCCCCO[CH](c1cccc2ccccc12)[P](O)(O)=O

Name:

[(S)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid

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).