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BioLiP

PDB CCD ID: 6YR
Number of entries in BioLiP: 11
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:
SoftwareSMILES
CACTVS 3.385CO[CH]1[CH](O)[CH](O)[CH](C)O[CH]1[Se]C
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)[Se]C)OC)O)O
OpenEye OEToolkits 1.7.6C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)OC)O)O
CACTVS 3.385CO[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, Peter L 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).

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