BioLiP

PDB

BioLiP

PDB CCD ID:

6YR

Number of entries in BioLiP:

Chemical formula:

C8 H16 O4 Se

InChI:

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

InChIKey:

JGCHFCAEXBTPJU-FMGWEMOISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[CH]1[CH](O)[CH](O)[CH](C)O[CH]1[Se]C
OpenEye OEToolkits 1.7.6	CC1C(C(C(C(O1)[Se]C)OC)O)O
OpenEye OEToolkits 1.7.6	C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)OC)O)O
CACTVS 3.385	CO[C@H]1[C@H](O)[C@H](O)[C@H](C)O[C@@H]1[Se]C

Name:

methyl 1-seleno-2-O-methyl-beta-L-fucopyranoside;
2-O-methyl-methyl-seleno-L-fucopyranoside;
methyl 1-seleno-2-O-methyl-beta-L-fucoside;
methyl 1-seleno-2-O-methyl-L-fucoside;
methyl 1-seleno-2-O-methyl-fucoside

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).