BioLiP

PDB

BioLiP

PDB CCD ID:

7EZ

Number of entries in BioLiP:

Chemical formula:

C22 H34 O4

InChI:

InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20-21,23-24H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5-,8-6-,13-11-,14-3-,15-12-/t20-,21-/m1/s1

InChIKey:

YXQCSWUATWXVGK-QJJBBLQJSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC[C@H]=[C@H]CC(O)C(O)C[C@H]=CC/C=C\C/C=C\C/C=C\CCC(=O)O
OpenEye OEToolkits 2.0.6	CCC=CCC(C(CC=CCC=CCC=CCC=CCCC(=O)O)O)O
CACTVS 3.385	CCC=CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCCC(O)=O
OpenEye OEToolkits 2.0.6	CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O
CACTVS 3.385	CC\C=C/C[C@@H](O)[C@H](O)C\C=C/C\C=C/C/C=C\C\C=C/CCC(O)=O

Name:

(4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid

ZINC:

ZINC000034961974

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).