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CHEBI:44857 - 3',5'-DINITRO-N-ACETYL-L-THYRONINE

Default Structure
ChEBI IDCHEBI:44857
ChEBI Name3',5'-DINITRO-N-ACETYL-L-THYRONINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H15N3O9
Net Charge0
Average Mass405.319
Monoisotopic Mass405.08083
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])c1c([H])c([H])c(Oc2c([H])c([N+](=O)[O-])c(O[H])c([N+](=O)[O-])c2[H])c([H])c1[H]
InChIInChI=1S/C17H15N3O9/c1-9(21)18-13(17(23)24)6-10-2-4-11(5-3-10)29-12-7-14(19(25)26)16(22)15(8-12)20(27)28/h2-5,7-8,13,22H,6H2,1H3,(H,18,21)(H,23,24)/t13-/m0/s1
InChIKeyVZSQTOXQXPKQJX-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
3',5'-DINITRO-N-ACETYL-L-THYRONINE (CHEBI:44857) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3',5'-DINITRO-N-ACETYL-L-THYRONINEPDBeChem
N-acetyl-O-(4-hydroxy-3,5-dinitrophenyl)-L-tyrosinePDBeChem
Manual XrefsDatabases
P28PDBeChem