SEQ2FUN

BioLiP

PDB CCD ID: DTK
Number of entries in BioLiP: 12
Chemical formula: C14 H26 O8
InChI: InChI=1S/C14H26O8/c1-6-11(16)14(19)13(18)8(21-6)3-7-4-10(20-2)22-9(5-15)12(7)17/h6-19H,3-5H2,1-2H3/t6-,7+,8-,9+,10-,11+,12-,13+,14+/m0/s1
InChIKey: ZKQNJYZBKMAROQ-UDZHPATASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CO[C@@H]1C[C@@H](C[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O1
OpenEye OEToolkits 2.0.6CC1C(C(C(C(O1)CC2CC(OC(C2O)CO)OC)O)O)O
OpenEye OEToolkits 2.0.6C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O
CACTVS 3.385CO[CH]1C[CH](C[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](CO)O1
Name:(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
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).