BioLiP

PDB

BioLiP

PDB CCD ID:

H23

Number of entries in BioLiP:

Chemical formula:

C12 H28 O7 P2

InChI:

InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)

InChIKey:

KKVZONPEMODBBG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
ACDLabs 10.04	O=P(O)(O)C(O)(CCCCCCCCCCC)P(=O)(O)O
CACTVS 3.341	CCCCCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O

Name:

(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID)

ChEMBL:

CHEMBL416301

DrugBank:

DB07873

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).