BioLiP

PDB

BioLiP

PDB CCD ID:

A1EBL

Number of entries in BioLiP:

Chemical formula:

C10 H18 O

InChI:

InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1

InChIKey:

CDOSHBSSFJOMGT-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=CCC[C@](C)(C=C)O)C
CACTVS 3.385	CC(C)=CCC[C](C)(O)C=C
OpenEye OEToolkits 2.0.7	CC(=CCCC(C)(C=C)O)C
CACTVS 3.385	CC(C)=CCC[C@@](C)(O)C=C

Name:

(3~{R})-3,7-dimethylocta-1,6-dien-3-ol;
Linalool, (-)-

ChEMBL:

CHEMBL235672

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).