BioLiP

PDB

BioLiP

PDB CCD ID:

A6L

Number of entries in BioLiP:

Chemical formula:

C21 H40 O4

InChI:

InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-

InChIKey:

RZRNAYUHWVFMIP-KTKRTIGZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCC=CCCCCCCCC(=O)OCC(O)CO
OpenEye OEToolkits 2.0.6	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O
CACTVS 3.385	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
ACDLabs 12.01	C(C(OCC(CO)O)=O)CCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O

Name:

2,3-dihydroxypropyl (9Z)-octadec-9-enoate;
monoolein

ChEMBL:

CHEMBL428593

DrugBank:

DB13171

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).