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BioLiP

PDB CCD ID: G3M
Number of entries in BioLiP: 1
Chemical formula: C7 H16 N4 O3
InChI: InChI=1S/C7H16N4O3/c8-5(6(13)14)4(12)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1
InChIKey: ZMNNJGSTNCXCMN-WHFBIAKZSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(C(O)CCCNC(=N)\N)N
CACTVS 3.385N[CH]([CH](O)CCCNC(N)=N)C(O)=O
CACTVS 3.385N[C@@H]([C@@H](O)CCCNC(N)=N)C(O)=O
OpenEye OEToolkits 2.0.6C(CC(C(C(=O)O)N)O)CNC(=N)N
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\NCCC[C@@H]([C@@H](C(=O)O)N)O
Name:(3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine
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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