SEQ2FUN

BioLiP

PDB CCD ID: 5TK
Number of entries in BioLiP: 0
Chemical formula: C6 H12 O7 S
InChI: InChI=1S/C6H12O7S/c7-1-2-5(13-14-11)3(8)4(9)6(10)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
InChIKey: LYKOPFRBCNKSPJ-UKFBFLRUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C(C1C(C(C(C(O1)O)O)O)OSO)O
CACTVS 3.385OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OSO
CACTVS 3.385OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1OSO
OpenEye OEToolkits 2.0.4C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OSO)O
Name:(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol;
(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol
ZINC: ZINC000584905272
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).