BioLiP

PDB

BioLiP

PDB CCD ID:

A1IWZ

Number of entries in BioLiP:

Chemical formula:

C15 H26

InChI:

InChI=1S/C15H26/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,8,10,12,14-15H,5,7,9,11H2,1-4H3/b10-8+,13-6-/t14-,15-/m1/s1

InChIKey:

KLGULIQQGMAJOK-XPXAULBRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1CCC=C(C=CC(CC1)C(C)C)C
CACTVS 3.385	C[C@@H]1CC\C=C(C)/C=C/[C@H](CC1)C(C)C
CACTVS 3.385	C[CH]1CCC=C(C)C=C[CH](CC1)C(C)C
OpenEye OEToolkits 2.0.7	C[C@@H]1CC/C=C(\C=C\[C@H](CC1)C(C)C)/C

Name:

(1~{Z},3~{E},5~{R},8~{S})-2,8-dimethyl-5-propan-2-yl-cyclodeca-1,3-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).