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BioLiP

PDB CCD ID: 7ZS
Number of entries in BioLiP: 3
Chemical formula: C8 H6 O4
InChI: InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)
InChIKey: YOEUNKPREOJHBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(C=O)c1O
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)C(=O)O)O)C=O
Name:3-methanoyl-2-oxidanyl-benzoic acid
ZINC: ZINC000000507925
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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