BioLiP

PDB

BioLiP

PDB CCD ID:

SEF

Number of entries in BioLiP:

Chemical formula:

C20 H37 F N O4 P

InChI:

InChI=1S/C20H37FNO4P/c1-3-5-6-11-14-17-22-20(23)25-18-15-12-9-7-8-10-13-16-19-27(21,24)26-4-2/h1H,4-19H2,2H3,(H,22,23)/t27-/m1/s1

InChIKey:

JFCFPSBLBVUKMV-HHHXNRCGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F
CACTVS 3.370	CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C
OpenEye OEToolkits 1.7.6	CCOP(=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F
ACDLabs 12.01	FP(=O)(OCC)CCCCCCCCCCOC(=O)NCCCCCC#C
CACTVS 3.370	CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C

Name:

ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate

ZINC:

ZINC000098209397

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).