BioLiP

PDB

BioLiP

PDB CCD ID:

4M5

Number of entries in BioLiP:

Chemical formula:

C22 H32 O3

InChI:

InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-15H,2,4,9-10,16-20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-

InChIKey:

XXHHYIQPKMKZSU-BBBWWSJWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
OpenEye OEToolkits 2.0.4	CCC=CCC(=O)CCC=CCC=CCC=CCC=CCCC(=O)O
CACTVS 3.385	CC\C=C/CC(=O)CC\C=C/C/C=C\C\C=C/C\C=C/CCC(O)=O
CACTVS 3.385	CCC=CCC(=O)CCC=CCC=CCC=CCC=CCCC(O)=O

Name:

(4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid

ZINC:

ZINC000034774048

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).