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BioLiP

PDB CCD ID: GTK
Number of entries in BioLiP: 1
Chemical formula: C6 H10 O7
InChI: InChI=1S/C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m1/s1
InChIKey: OEVWLAOZEALENB-ORELYVPDSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(O)C1OC(O)C(O)C1O
OpenEye OEToolkits 1.7.2[C@H]1([C@H]([C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH]1O)[CH](O)C(O)=O
CACTVS 3.370O[C@@H]1O[C@H]([C@H](O)[C@H]1O)[C@H](O)C(O)=O
OpenEye OEToolkits 1.7.2C1(C(C(OC1C(C(=O)O)O)O)O)O
Name:beta-D-galactofuranuronic acid;
beta-D-galacturonic acid;
D-galacturonic acid;
galacturonic acid
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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