SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C6 H17 N O7 P2

InChI:

InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)

InChIKey:

PUUSSSIBPPTKTP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN
CACTVS 3.385	NCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O

Name:

(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid

ChEMBL:

DrugBank:

ZINC:

ZINC000001999491

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).