SEQ2FUN

BioLiP

PDB CCD ID: K71
Number of entries in BioLiP: 2
Chemical formula: C9 H16 O8
InChI: InChI=1S/C9H16O8/c1-16-5-2-9(15,8(13)14)17-7(6(5)12)4(11)3-10/h4-7,10-12,15H,2-3H2,1H3,(H,13,14)/t4-,5-,6-,7-,9-/m1/s1
InChIKey: WLRWVSRKOWICBL-DMKSXPFUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CO[C@@H]1C[C@@](O)(O[C@H]([C@H](O)CO)[C@@H]1O)C(O)=O
CACTVS 3.385CO[CH]1C[C](O)(O[CH]([CH](O)CO)[CH]1O)C(O)=O
ACDLabs 12.01COC1CC(O)(C(O)=O)OC(C1O)C(CO)O
OpenEye OEToolkits 2.0.6CO[C@@H]1C[C@@](O[C@@H]([C@@H]1O)[C@@H](CO)O)(C(=O)O)O
OpenEye OEToolkits 2.0.6COC1CC(OC(C1O)C(CO)O)(C(=O)O)O
Name:3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid
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).