SEQ2FUN

BioLiP

PDB CCD ID: REL
Number of entries in BioLiP: 13
Chemical formula: C6 H10 O7
InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1
InChIKey: IAJILQKETJEXLJ-QTBDOELSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=O)C(C(C(C(C(=O)O)O)O)O)O
CACTVS 3.385O[CH](C=O)[CH](O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.7.6C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
CACTVS 3.385O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
ACDLabs 12.01O=C(O)C(O)C(O)C(O)C(O)C=O
Name:D-glucuronic acid;
D-Glucuronate;
alpha-D-glucofuranuronic acid
ChEMBL: CHEMBL1235649
ZINC: ZINC000100004705
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).