BioLiP

PDB

BioLiP

PDB CCD ID:

4E6

Number of entries in BioLiP:

Chemical formula:

C16 H28

InChI:

InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,7,9,11,13H,1,4-6,8,10,12,14-16H2,2H3/b9-7+,13-11+

InChIKey:

OPBISVRDVDRVHM-PTSVWTKZSA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.0	CCCCCCCCCC=CC=CCC=C
CACTVS 3.370	CCCCCCCCC\C=C\C=C\CC=C
ACDLabs 12.01	C(=C/C=C/CCCCCCCCC)\C\C=C
OpenEye OEToolkits 1.7.0	CCCCCCCCC/C=C/C=C/CC=C

Name:

(4E,6E)-hexadeca-1,4,6-triene

ZINC:

ZINC000064746431

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).