BioLiP

PDB

BioLiP

PDB CCD ID:

A1AJD

Number of entries in BioLiP:

Chemical formula:

C8 H16 O

InChI:

InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h4-5,9H,2-3,6-8H2,1H3/b5-4-

InChIKey:

OZQBPZSICOOLGU-PLNGDYQASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC/C=C\CCCO
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCC=CCCCO
ACDLabs 12.01 CACTVS 3.385	CCC\C=C/CCCO

Name:

(4Z)-oct-4-en-1-ol

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).