BioLiP

PDB

BioLiP

PDB CCD ID:

J10

Number of entries in BioLiP:

Chemical formula:

C16 H26 O2

InChI:

InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10?,15-12-

InChIKey:

NWKXNIPBVLQYAB-JOIZPYPQSA-N

SMILES:

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

Name:

Methyl farnesoate;
(2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoate

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).