BioLiP

PDB

BioLiP

PDB CCD ID:

N68

Number of entries in BioLiP:

Chemical formula:

C6 H16 N O4 P

InChI:

InChI=1S/C6H16NO4P/c7-5-3-1-2-4-6-11-12(8,9)10/h1-7H2,(H2,8,9,10)

InChIKey:

XYVLZAYJHCECPN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=P(OCCCCCCN)(O)O
CACTVS 3.370	NCCCCCCO[P](O)(O)=O
OpenEye OEToolkits 1.7.2	C(CCCOP(=O)(O)O)CCN

Name:

6-aminohexyl dihydrogen phosphate

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).