BioLiP

PDB

BioLiP

PDB CCD ID:

81K

Number of entries in BioLiP:

Chemical formula:

C16 H30 O

InChI:

InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-

InChIKey:

QFPVVMKZTVQDTL-FPLPWBNLSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCCCCC=CCCCCCCCC=O
OpenEye OEToolkits 2.0.7	CCCCCC/C=C\CCCCCCCC=O
CACTVS 3.385	CCCCCC\C=C/CCCCCCCC=O

Name:

(Z)-hexadec-9-enal

ZINC:

ZINC000059725570

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).