BioLiP

PDB

BioLiP

PDB CCD ID:

1EY

Number of entries in BioLiP:

Chemical formula:

C16 H28 O

InChI:

InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5-

InChIKey:

ZTJGMVSDMQAJPE-OUPQRBNQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC/C=C\C=C/CCCCCCCCCC=O
CACTVS 3.370 OpenEye OEToolkits 1.7.6	CCC=CC=CCCCCCCCCCC=O
CACTVS 3.370	CC\C=C/C=C\CCCCCCCCCC=O
ACDLabs 12.01	O=CCCCCCCCCC/C=C\C=C/CC

Name:

(11Z,13Z)-hexadeca-11,13-dienal

ZINC:

ZINC000033953352

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).