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BioLiP

PDB CCD ID: GND
Number of entries in BioLiP: 0
Chemical formula: C6 H15 N4 O2
InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+]
OpenEye OEToolkits 1.5.0[H]N=C(N)NCCCC(C(=O)O)[NH3+]
ACDLabs 10.04O=C(O)C(CCCNC(=[N@H])N)[NH3+]
CACTVS 3.341NC(=N)NCCC[CH]([NH3+])C(O)=O
CACTVS 3.341NC(=N)NCCC[C@H]([NH3+])C(O)=O
Name:2-AMINO-5-GUANIDINO-PENTANOIC ACID;
L-argininium(2+);
L-argininediium
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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