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BioLiP

PDB CCD ID: LLO
Number of entries in BioLiP: 0
Chemical formula: C12 H26 N2 O3
InChI: InChI=1S/C12H26N2O3/c1-9(8-12(2,3)17)14-7-5-4-6-10(13)11(15)16/h9-10,14,17H,4-8,13H2,1-3H3,(H,15,16)/t9-,10-/m0/s1
InChIKey: DFHXLOGIWRRFER-UWVGGRQHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(CC(C)(C)O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.7.0C[C@@H](CC(C)(C)O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.370C[C@@H](CC(C)(C)O)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCCNC(CC(O)(C)C)C
CACTVS 3.370C[CH](CC(C)(C)O)NCCCC[CH](N)C(O)=O
Name:N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine;
4-Hydroxy-4-Methyl-2-Pentanone
ZINC: ZINC000066157029
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).
  • 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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