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BioLiP Library

PDB CCD ID: 5VO
Number of entries in BioLiP: 4
Chemical formula: C12 H14 O3
InChI: InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChIKey: AIEMSTCGCMIJTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)C(=O)CCCCC(=O)O
CACTVS 3.385OC(=O)CCCCC(=O)c1ccccc1
Name:6-oxidanylidene-6-phenyl-hexanoic acid;
5-Benzoylpentanoic Acid
ZINC: ZINC000001712905
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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