SEQ2FUN

BioLiP

PDB CCD ID: KNA
Number of entries in BioLiP: 23
Chemical formula: C9 H18 O2
InChI: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCCCCC
OpenEye OEToolkits 1.7.2CCCCCCCCC(=O)O
CACTVS 3.370CCCCCCCCC(O)=O
Name:nonanoic acid
ChEMBL: CHEMBL108436
ZINC: ZINC000001529234
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).