SEQ2FUN

BioLiP

PDB CCD ID: A1EOQ
Number of entries in BioLiP: 2
Chemical formula: C10 H16 O8
InChI: InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2/t4-,5-,7-,8+,9-,10-/m1/s1
InChIKey: MQEPWBMWFIVRPS-ZGSHZZHUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@H](COC1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
OpenEye OEToolkits 2.0.7C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.385OC[CH]1O[CH](O[CH]2COC(=O)C2)[CH](O)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@@H](O[C@H]2COC(=O)C2)[C@H](O)[C@@H](O)[C@@H]1O
Name:Kinsenoside;
(4R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
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).