SEQ2FUN

BioLiP

PDB CCD ID: A1BIH
Number of entries in BioLiP: 14
Chemical formula: C14 H28 N2 O3
InChI: InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-12(14(18)19)9-7-8-11-15/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKey: GGCVGFFRMZLQBP-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCC(=O)N[CH](CCCCN)C(O)=O
ACDLabs 14.52O=C(NC(CCCCN)C(=O)O)CCCCCCC
OpenEye OEToolkits 3.1.0.0CCCCCCCC(=O)NC(CCCCN)C(=O)O
CACTVS 3.385CCCCCCCC(=O)N[C@@H](CCCCN)C(O)=O
OpenEye OEToolkits 3.1.0.0CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O
Name:N~2~-octanoyl-L-lysine
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).