BioLiP

PDB

BioLiP

PDB CCD ID:

A1IW0

Number of entries in BioLiP:

Chemical formula:

C15 H28

InChI:

InChI=1S/C15H28/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,12-13H,7-11H2,1-5H3/b14-6-,15-12+

InChIKey:

JWYIGIOWHFKZIP-IBAFYIADSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C/C=C(/C)\CC/C=C(\C)/CCCC(C)C
CACTVS 3.385	C\C=C(C)/CC\C=C(/C)CCCC(C)C
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC=C(C)CCC=C(C)CCCC(C)C

Name:

(2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6-diene

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).