BioLiP

PDB

BioLiP

PDB CCD ID:

ZUV

Number of entries in BioLiP:

Chemical formula:

C17 H31 F N O4 P

InChI:

InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1

InChIKey:

XPLTVISHLDPSGW-XMMPIXPASA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCC#C
CACTVS 3.385	CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCC#C
OpenEye OEToolkits 2.0.7	CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCC#C)F
ACDLabs 12.01	FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC
OpenEye OEToolkits 2.0.7	CCOP(=O)(CCCCCCCCCCOC(=O)NCCC#C)F

Name:

ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate

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).