BioLiP

PDB

BioLiP

PDB CCD ID:

14Y

Number of entries in BioLiP:

Chemical formula:

C19 H36 O2

InChI:

InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+

InChIKey:

QYDYPVFESGNLHU-ZHACJKMWSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCCCCCC/C=C/CCCCCCCC(=O)OC
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCCCCCCC=CCCCCCCCC(=O)OC

Name:

METHYL(E)-OCTADEC-9-ENOATE

ZINC:

ZINC000008218511

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).