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BioLiP

PDB CCD ID: GC4
Number of entries in BioLiP: 3
Chemical formula: C6 H10 O6
InChI: InChI=1S/C6H10O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,6-8,11H,1H2,(H,9,10)/t2-,3-,4+,6+/m0/s1
InChIKey: OGDYCNQXUUBOMI-RFPGKLGKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH]1C[CH](O[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@@H](OC1C(=O)O)O)O)O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1
OpenEye OEToolkits 1.5.0C1C(C(C(OC1C(=O)O)O)O)O
CACTVS 3.341O[C@H]1C[C@H](O[C@@H](O)[C@@H]1O)C(O)=O
Name:4-deoxy-beta-D-glucopyranuronic acid;
4-DEOXY-D-GLUCURONIC ACID;
4-deoxy-beta-D-glucuronic acid;
4-deoxy-glucuronic acid
DrugBank: DB04548
ZINC: ZINC000005850963
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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