SEQ2FUN

BioLiP

PDB CCD ID: 8AC
Number of entries in BioLiP: 14
Chemical formula: C8 H17 N O2
InChI: InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
InChIKey: UQXNEWQGGVUVQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CCCC(=O)O)CCCN
CACTVS 3.370NCCCCCCCC(O)=O
ACDLabs 12.01O=C(O)CCCCCCCN
Name:8-aminooctanoic acid;
8-aminocaprylic acid
ChEMBL: CHEMBL196105
ZINC: ZINC000001689483
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).