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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > 1-nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene
organooxygen compound > carboxamide > peptide > 1-nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > 1-nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > 1-nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > 1-nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene

Preferred term

1-nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene  

Type

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

Broader concept

charge

  • 0

formula

  • C20H24N4O9S

inchi

  • InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(26)23-12(19(29)22-8-16(27)28)9-34-18-14(25)6-4-10-2-1-3-13(17(10)18)24(32)33/h1-4,6,11-12,14,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t11-,12-,14?,18?/m0/s1

inchikey

  • RQCSOWVLCHNLLC-WXFCVCCESA-N

mass

  • 496.493

monoisotopicmass

  • 496.12640

smiles

  • N[C@@H](CCC(=O)N[C@@H](CSC1C(O)C=Cc2cccc(c12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:34103

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