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BioLiP

PDB CCD ID: GU1
Number of entries in BioLiP: 8
Chemical formula: C8 H14 O7
InChI: InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3-,4-,5-,6+,8+/m0/s1
InChIKey: YEGNNGDFCAGXPA-GRJZWZNASA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=O
CACTVS 3.352CO[C@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1OC)C(O)=O
ACDLabs 11.02O=C(O)C1OC(O)C(OC)C(OC)C1O
OpenEye OEToolkits 1.7.0COC1C(C(OC(C1OC)O)C(=O)O)O
OpenEye OEToolkits 1.7.0CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O
Name:2,3-di-O-methyl-beta-D-glucopyranuronic acid;
2,3-di-O-methyl-beta-D-glucuronic acid;
2,3-di-O-methyl-D-glucuronic acid;
2,3-di-O-methyl-glucuronic acid
ZINC: ZINC000006483311
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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