BioLiP

PDB

BioLiP

PDB CCD ID:

GLE

Number of entries in BioLiP:

Chemical formula:

C16 H32 F3 O6 P

InChI:

InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1

InChIKey:

YBCDZAGHRGXDRX-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC
CACTVS 3.341	CCCCCCCCCCOC[CH](COCC(F)(F)F)O[P](O)(=O)OC
ACDLabs 10.04	FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC
CACTVS 3.341	CCCCCCCCCCOC[C@@H](COCC(F)(F)F)O[P@](O)(=O)OC

Name:

1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL

DrugBank:

DB07836

ZINC:

ZINC000015529503

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).