BioLiP

PDB

BioLiP

PDB CCD ID:

VKV

Number of entries in BioLiP:

Chemical formula:

C23 H40 O3

InChI:

InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-

InChIKey:

CUJUUWXZAQHCNC-DOFZRALJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO
CACTVS 3.385	CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCCOC(CO)CO
ACDLabs 12.01	C(CO)(OCCCC\C=C/C\C=C/C/C=C\C/C=C\CCCCC)CO
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO

Name:

2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol;
2-Arachidonyl Glycerol Ether

ChEMBL:

CHEMBL146346

ZINC:

ZINC000003981490

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).