BioLiP

PDB

BioLiP

PDB CCD ID:

08O

Number of entries in BioLiP:

Chemical formula:

C22 H42 O2

InChI:

InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-

InChIKey:

DPUOLQHDNGRHBS-KTKRTIGZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
CACTVS 3.385	CCCCCCCCC=CCCCCCCCCCCCC(O)=O
CACTVS 3.385	CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCC=CCCCCCCCCCCCC(=O)O

Name:

(Z)-docos-13-enoic acid

ChEMBL:

CHEMBL1173380

ZINC:

ZINC000008220981

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).