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BioLiP

PDB CCD ID: A29
Number of entries in BioLiP: 1
Chemical formula: C8 H6 O4
InChI: InChI=1S/C8H6O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,9H,(H,11,12)
InChIKey: NBDYDHVCTKPDRI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1cc(O)ccc1)C(=O)O
OpenEye OEToolkits 1.6.1c1cc(cc(c1)O)C(=O)C(=O)O
CACTVS 3.352OC(=O)C(=O)c1cccc(O)c1
Name:2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID
ChEMBL: CHEMBL1230698
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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