BioLiP

PDB

BioLiP

PDB CCD ID:

DV9

Number of entries in BioLiP:

Chemical formula:

C6 H10 F2 N O6 P

InChI:

InChI=1S/C6H10F2NO6P/c7-6(8,16(13,14)15)4(10)2-1-3(9)5(11)12/h3H,1-2,9H2,(H,11,12)(H2,13,14,15)/t3-/m0/s1

InChIKey:

LABOZNZPTQOSFU-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC(=O)C(F)(F)P(=O)(O)O)C(C(=O)O)N
CACTVS 3.385	N[CH](CCC(=O)C(F)(F)[P](O)(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CCC(=O)C(F)(F)[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(CC(=O)C(F)(F)P(=O)(O)O)[C@@H](C(=O)O)N

Name:

(2S)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic 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).