BioLiP

PDB

BioLiP

PDB CCD ID:

B7M

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/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+

InChIKey:

OSFASEAZCNYZBW-SCFJQAPRSA-N

SMILES:

Software	SMILES
CACTVS 3.352 OpenEye OEToolkits 1.6.1	CCC\C=C/C=C/CCCCCCCCC=O
CACTVS 3.352 OpenEye OEToolkits 1.6.1	CCCC=CC=CCCCCCCCCC=O
ACDLabs 10.04	O=CCCCCCCCC\C=C\C=C/CCC

Name:

(10E,12Z)-hexadeca-10,12-dienal

ZINC:

ZINC000034564624

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).