BioLiP

PDB

BioLiP

PDB CCD ID:

LVW

Number of entries in BioLiP:

Chemical formula:

C6 H12 O2 Se

InChI:

InChI=1S/C6H12O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7,9H,1,3-5H2/t6-/m1/s1

InChIKey:

YQCUFGFATQCBJJ-ZCFIWIBFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@@H](C[SeH])COCC=C
OpenEye OEToolkits 2.0.7	C=CCOC[C@H](C[SeH])O
CACTVS 3.385	O[CH](C[SeH])COCC=C
OpenEye OEToolkits 2.0.7	C=CCOCC(C[SeH])O

Name:

(2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol

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).