BioLiP

PDB

BioLiP

PDB CCD ID:

AE4

Number of entries in BioLiP:

Chemical formula:

C12 H26 O6

InChI:

InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3

InChIKey:

NJRFAMBTWHGSDE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O(CCO)CCOCCOCCOCCOCC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCOCCOCCOCCOCCOCCO

Name:

3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL

DrugBank:

DB07344

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).