SEQ2FUN

BioLiP

PDB CCD ID: EJV
Number of entries in BioLiP: 1
Chemical formula: C14 H20 O2
InChI: InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
InChIKey: VSUKEWPHURLYTK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCc1ccc(cc1)C(=O)O
ACDLabs 12.01c1cc(ccc1C(O)=O)CCCCCCC
CACTVS 3.385CCCCCCCc1ccc(cc1)C(O)=O
Name:4-heptylbenzoic acid
ChEMBL: CHEMBL1161942
ZINC: ZINC000002166918
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).