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Concept information

Preferred term

ارگوتیونئین (1+)  

Type

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

charge

  • +1

formula

  • C9H16N3O2S

inchi

  • InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1

inchikey

  • SSISHJJTAXXQAX-ZETCQYMHSA-O

is_conjugate_acid_of

mass

  • 230.309

monoisotopicmass

  • 230.09577

smiles

  • C=1([NH+]=C(NC1)S)C[C@@H](C(=O)[O-])[N+](C)(C)C

subset

  • 3_STAR

synonym EXACT

  • (2S)-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-3-ium-4-yl)-2-(trimethylazaniumyl)propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:134344

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