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Concept information

Preferred term

diaquabis(l-histidine)copper(2+)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • +2

formula

  • C12H22CuN6O6

inchi

  • InChI=1S/2C6H9N3O2.Cu.2H2O/c2*7-5(6(10)11)1-4-2-8-3-9-4;;;/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);;2*1H2/q;;+2;;/t2*5-;;;/m00.../s1

inchikey

  • PYEMDCXXTSMMBL-XWKPRDGLSA-N

mass

  • 409.88592

monoisotopicmass

  • 409.08858

smiles

  • [H]N([H])[C@@H](Cc1cn([H])c[n+]1[H])C(=O)O[Cu](OC(=O)[C@H](Cc1cn([H])c[n+]1[H])N([H])[H])([O]([H])[H])[O]([H])[H]

subset

  • 3_STAR

synonym EXACT

  • diaquabis[(2S)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoato]copper(2+)
  • diaquabis(L-histidine)copper(2+)

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:32603

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