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BioLiP

PDB CCD ID: 0TF
Number of entries in BioLiP: 4
Chemical formula: C11 H24 N4 O3
InChI: InChI=1S/C11H24N4O3/c12-6-3-5-8(13)10(16)15-7-2-1-4-9(14)11(17)18/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1
InChIKey: AOOVWOOUTNDWMA-BDAKNGLRSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCCCNC(=O)C(N)CCCN
OpenEye OEToolkits 1.7.6C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N
CACTVS 3.370NCCC[C@@H](N)C(=O)NCCCC[C@H](N)C(O)=O
CACTVS 3.370NCCC[CH](N)C(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6C(CCNC(=O)C(CCCN)N)CC(C(=O)O)N
Name:N~6~-D-ornithyl-L-lysine
ZINC: ZINC000095920521
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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