BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C20 H38 O2

InChI:

InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8-

InChIKey:

QSZKEDWVAOAFQY-HJWRWDBZSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(OCCCCCCCCCC\C=C/CCCCCC)C
OpenEye OEToolkits 1.5.0	CCCCCC\C=C/CCCCCCCCCCOC(=O)C
CACTVS 3.341	CCCCCCC=CCCCCCCCCCCOC(C)=O
OpenEye OEToolkits 1.5.0	CCCCCCC=CCCCCCCCCCCOC(=O)C
CACTVS 3.341	CCCCCC\C=C/CCCCCCCCCCOC(C)=O

Name:

(Z)-OCTADEC-11-ENYL ACETATE

ZINC:

ZINC000059696286

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).