BioLiP

PDB

BioLiP

PDB CCD ID:

A1BMF

Number of entries in BioLiP:

Chemical formula:

C15 H26 S

InChI:

InChI=1S/C15H26S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+

InChIKey:

CJWPDADGDASKGI-YFVJMOTDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)=CCC\C(C)=C\CC\C(C)=C\CS
CACTVS 3.385	CC(C)=CCCC(C)=CCCC(C)=CCS
OpenEye OEToolkits 3.1.0.0	CC(=CCC/C(=C/CC/C(=C/CS)/C)/C)C
OpenEye OEToolkits 3.1.0.0	CC(=CCCC(=CCCC(=CCS)C)C)C
ACDLabs 14.52	C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CS

Name:

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol

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).