BioLiP

PDB

BioLiP

PDB CCD ID:

N1S

Number of entries in BioLiP:

Chemical formula:

C15 H26 O

InChI:

InChI=1S/C15H26O/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:

CRDAMVZIKSXKFV-PVMFERMNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)=CCC\C(C)=C\CC\C(C)=C/CO
OpenEye OEToolkits 2.0.7	CC(=CCCC(=CCCC(=CCO)C)C)C
OpenEye OEToolkits 2.0.7	CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C
CACTVS 3.385	CC(C)=CCCC(C)=CCCC(C)=CCO
ACDLabs 12.01	C\C(=C\CC\C(=C\CC\C(=C/CO)C)C)C

Name:

(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;
cis,trans-Farnesol

ChEMBL:

CHEMBL5185759

ZINC:

ZINC000013507234

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).