BioLiP

PDB

BioLiP

PDB CCD ID:

FSW

Number of entries in BioLiP:

Chemical formula:

C8 H16 O4 Se

InChI:

InChI=1S/C8H16O4Se/c1-4-5(9)6(10)7(13-3)8(11-2)12-4/h4-10H,1-3H3/t4-,5+,6+,7-,8+/m0/s1

InChIKey:

GFGVRXDXSFUDNW-FMGWEMOISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1[Se]C
OpenEye OEToolkits 2.0.6	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O
OpenEye OEToolkits 2.0.6	CC1C(C(C(C(O1)OC)[Se]C)O)O
CACTVS 3.385	CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1[Se]C

Name:

methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside;
(2S,3S,4R,5S,6R)-6-methoxy-2-methyl-5-methylselanyl-oxane-3,4-diol;
methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactoside;
methyl 6-deoxy-2-Se-methyl-2-seleno-L-galactoside;
methyl 6-deoxy-2-Se-methyl-2-seleno-galactoside

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).