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BioLiP

PDB CCD ID: TTY
Number of entries in BioLiP: 1
Chemical formula: C9 H8 O4
InChI: InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)
InChIKey: FABBWECRHZNMDQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1c2c(oc1)CCCC2=O
CACTVS 3.370OC(=O)c1coc2CCCC(=O)c12
OpenEye OEToolkits 1.7.6c1c(c2c(o1)CCCC2=O)C(=O)O
Name:4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
ZINC: ZINC000000108349
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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