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BioLiP

PDB CCD ID: LN7
Number of entries in BioLiP: 2
Chemical formula: C10 H23 N3 O2
InChI: InChI=1S/C10H23N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8-,9-/m0/s1
InChIKey: RLYDQIKERMGUOF-IUCAKERBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCC[CH](N)NCCC[CH](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCNC(N)CCCC
OpenEye OEToolkits 1.7.0CCCCC(N)NCCCC(C(=O)O)N
OpenEye OEToolkits 1.7.0CCCC[C@@H](N)NCCC[C@@H](C(=O)O)N
CACTVS 3.370CCCC[C@@H](N)NCCC[C@H](N)C(O)=O
Name:N~5~-[(1S)-1-aminopentyl]-L-ornithine
ZINC: ZINC000058649375
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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