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BioLiP

PDB CCD ID: ELY
Number of entries in BioLiP: 0
Chemical formula: C10 H22 N2 O2
InChI: InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKey: LBVIZDDNHRTLPY-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(CC)CCCCC(C(=O)O)N
CACTVS 3.385CCN(CC)CCCC[CH](N)C(O)=O
ACDLabs 12.01C(=O)(C(N)CCCCN(CC)CC)O
OpenEye OEToolkits 2.0.7CCN(CC)CCCC[C@@H](C(=O)O)N
CACTVS 3.385CCN(CC)CCCC[C@H](N)C(O)=O
Name:N~6~,N~6~-diethyl-L-lysine;
(2S)-2-azanyl-6-(diethylamino)hexanoic acid
ZINC: ZINC000066166863
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)(download the PDF file).
  • 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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