BioLiP

PDB

BioLiP

PDB CCD ID:

TO4

Number of entries in BioLiP:

Chemical formula:

C15 H30 F O2 P

InChI:

InChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1

InChIKey:

HAGAHLUSUUTRJV-LJQANCHMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)OP(=O)(CCCCCCCCCCC=C)F
OpenEye OEToolkits 2.0.7	CC(C)O[P@](=O)(CCCCCCCCCCC=C)F
CACTVS 3.385	CC(C)O[P](F)(=O)CCCCCCCCCCC=C
CACTVS 3.385	CC(C)O[P@](F)(=O)CCCCCCCCCCC=C
ACDLabs 12.01	P(CCCCCCCCCC[C@H]=C)(F)(=O)OC(C)C

Name:

propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate;
11-dodecenyl-phosphonofluoridic acid 1-methylethyl ester

ZINC:

ZINC000097949369

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).