BioLiP

PDB

BioLiP

PDB CCD ID:

6JZ

Number of entries in BioLiP:

Chemical formula:

C12 H26 O5

InChI:

InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3

InChIKey:

HYDWALOBQJFOMS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385 OpenEye OEToolkits 1.7.6	CCOCCOCCOCCOCCOCC

Name:

3,6,9,12,15-pentaoxaheptadecane;
Part of Jeffamine

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).