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BioLiP

PDB CCD ID: PF0
Number of entries in BioLiP: 1
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)
InChIKey: RIERSGULWXEJKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1c(cccc1O)C(=O)O
ACDLabs 12.01O=C(O)c1cccc(O)c1C
CACTVS 3.370Cc1c(O)cccc1C(O)=O
Name:3-hydroxy-2-methylbenzoic acid
ZINC: ZINC000001698894
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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