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BioLiP

PDB CCD ID: XXC
Number of entries in BioLiP: 1
Chemical formula: C13 H18 O2
InChI: InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
InChIKey: ZVSXKFNTWOIGJI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCCCc1ccccc1
ACDLabs 12.01O=C(O)CCCCCCc1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCCCCCC(=O)O
Name:7-phenylheptanoic acid
ChEMBL: CHEMBL253919
ZINC: ZINC000002575483
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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