BioLiP

PDB

BioLiP

PDB CCD ID:

2JT

Number of entries in BioLiP:

Chemical formula:

C21 H42 O4

InChI:

InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3

InChIKey:

YQEMORVAKMFKLG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
ACDLabs 12.01	O=C(OC(CO)CO)CCCCCCCCCCCCCCCCC

Name:

1,3-dihydroxypropan-2-yl octadecanoate;
2-Stearoylglycerol;
2-Monostearin

ZINC:

ZINC000032840814

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).