SEQ2FUN

BioLiP

PDB CCD ID: 4IZ
Number of entries in BioLiP: 1
Chemical formula: C12 H22 O10 Se
InChI: InChI=1S/C12H22O10Se/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
InChIKey: XCXHDIQHVBWOAM-ZFDCCPEWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH]([Se][CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@@H]([Se][C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(O1)[Se]C2C(C(C(C(O2)CO)O)O)O)O)O)O)O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[Se][C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
ACDLabs 12.01OC1C(OC(CO)C(O)C1O)[Se]C1OC(CO)C(O)C(O)C1O
Name:beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside
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).