BioLiP

PDB

BioLiP

PDB CCD ID:

IRY

Number of entries in BioLiP:

Chemical formula:

C17 H34 O4 Se

InChI:

InChI=1S/C17H34O4Se/c1-2-3-4-9-12-22-13-10-7-5-6-8-11-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1

InChIKey:

NDMGORYXSUYATF-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCC[Se]CCCCCCCC(=O)OC[C@@H](O)CO
OpenEye OEToolkits 2.0.7	CCCCCC[Se]CCCCCCCC(=O)OC[C@H](CO)O
CACTVS 3.385	CCCCCC[Se]CCCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 2.0.7	CCCCCC[Se]CCCCCCCC(=O)OCC(CO)O

Name:

[(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate

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).