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BioLiP Library

PDB CCD ID: DLS
Number of entries in BioLiP: 0
Chemical formula: C10 H18 N2 O4
InChI: InChI=1S/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m0/s1
InChIKey: ZHZUEHHBTYJTKY-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NCCCCC(C(=O)O)NC(=O)C
OpenEye OEToolkits 1.5.0CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)C
CACTVS 3.341CC(=O)NCCCC[CH](NC(C)=O)C(O)=O
CACTVS 3.341CC(=O)NCCCC[C@H](NC(C)=O)C(O)=O
ACDLabs 10.04O=C(NC(C(=O)O)CCCCNC(=O)C)C
Name:DI-ACETYL-LYSINE
ChEMBL: CHEMBL1221839
ZINC: ZINC000002560345
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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