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BioLiP Library

PDB CCD ID: GJS
Number of entries in BioLiP: 2
Chemical formula: C8 H6 O5
InChI: InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey: MWRVRCAFWBBXTL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1O)C(=O)O)C(=O)O
ACDLabs 12.01c1(C(O)=O)c(C(O)=O)ccc(c1)O
CACTVS 3.385OC(=O)c1ccc(O)cc1C(O)=O
Name:4-hydroxybenzene-1,2-dicarboxylic acid
ZINC: ZINC000000226728
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)(download the PDF file).
  • 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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