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BioLiP Library

PDB CCD ID: A1D6Y
Number of entries in BioLiP: 1
Chemical formula: C10 H10 O4
InChI: InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKey: YWWHKOHZGJFMIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)c1ccccc1C(O)=O
OpenEye OEToolkits 2.0.7CCOC(=O)c1ccccc1C(=O)O
Name:2-ethoxycarbonylbenzoic acid;
monoethyl phthalate
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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