BioLiP

PDB

BioLiP

PDB CCD ID:

A1H2K

Number of entries in BioLiP:

Chemical formula:

C20 H38 O4

InChI:

InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1

InChIKey:

XTALOCBNHVPVKU-VYENPZKTSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCC=CCCCCCC(=O)OCC(CO)O
OpenEye OEToolkits 2.0.7	CCCCCCCCC/C=C/CCCCCC(=O)OC[C@H](CO)O
CACTVS 3.385	CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385	CCCCCCCCC/C=C/CCCCCC(=O)OC[C@@H](O)CO

Name:

7.10 monoacylglycerol (S-form);
[(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate

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).