SEQ2FUN

BioLiP

PDB CCD ID: D54
Number of entries in BioLiP: 3
Chemical formula: C6 H8 O6
InChI: InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1
InChIKey: IMUGYKFHMJLTOU-UCORVYFPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@@H]([C@H](C=O)O)O)C(=O)C(=O)O
CACTVS 3.370O[CH](CC(=O)C(O)=O)[CH](O)C=O
CACTVS 3.370O[C@@H](CC(=O)C(O)=O)[C@@H](O)C=O
OpenEye OEToolkits 1.7.0C(C(C(C=O)O)O)C(=O)C(=O)O
ACDLabs 12.01O=CC(O)C(O)CC(=O)C(=O)O
Name:4-deoxy-L-threo-hex-5-ulosuronic acid;
5-keto-4-deoxy-D-Galacturonate
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).