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BioLiP

PDB CCD ID: GCV
Number of entries in BioLiP: 26
Chemical formula: C7 H12 O7
InChI: InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7+/m1/s1
InChIKey: WGLLPAPKWFDHHV-NRGGUMNKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COC1C(C(C(OC1C(=O)O)O)O)O
OpenEye OEToolkits 1.5.0CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O
CACTVS 3.341CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O
CACTVS 3.341CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1OC
Name:4-O-methyl-alpha-D-glucopyranuronic acid;
4-O-METHYL-ALPHA-D-GLUCURONIC ACID;
4-O-methyl-D-glucuronic acid;
4-O-methyl-glucuronic acid
ChEMBL: CHEMBL187785
DrugBank: DB04303
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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