CHEBI:15984 - N-(4-nitrophenyl)-3-oxovalidamine

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ChEBI Name N-(4-nitrophenyl)-3-oxovalidamine
ChEBI ID CHEBI:15984
ChEBI ASCII Name N-(4-nitrophenyl)-3-oxovalidamine
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12036, CHEBI:20459, CHEBI:1916
Supplier Information
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Formulae C13H16N2O6
C13H16N2O6
Net Charge 0
Average Mass 296.27590
Monoisotopic Mass 296.10084
InChI InChI=1S/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2/t7-,10+,11-,12+/m1/s1
InChIKey JYWZXKMMEIJNKK-IGCXTIMSSA-N
SMILES OC[C@H]1C[C@H](Nc2ccc(cc2)[N+]([O-])=O)[C@H](O)C(=O)[C@@H]1O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-(4-nitrophenyl)-3-oxovalidamine (CHEBI:15984) is a C-nitro compound (CHEBI:35716)
N-(4-nitrophenyl)-3-oxovalidamine (CHEBI:15984) is a cyclic ketone (CHEBI:3992)
N-(4-nitrophenyl)-3-oxovalidamine (CHEBI:15984) is a secondary α-hydroxy ketone (CHEBI:2468)
N-(4-nitrophenyl)-3-oxovalidamine (CHEBI:15984) is a secondary amino compound (CHEBI:50995)
N-(4-nitrophenyl)-3-oxovalidamine (CHEBI:15984) is a substituted aniline (CHEBI:48975)
N-(4-nitrophenyl)-3-oxovalidamine (CHEBI:15984) is a triol (CHEBI:27136)
IUPAC Name
(2R,3R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]cyclohexanone
Synonyms Sources
4-Nitrophenyl-3-ketovalidamine KEGG COMPOUND
4-nitrophenyl-3-ketovalidamine UniProt
N-(4-Nitrophenyl)-3-ketovalidamine KEGG COMPOUND
p-Nitrophenyl-3-ketovalidamine KEGG COMPOUND
Manual Xref Database
C03995 KEGG COMPOUND
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Last Modified
06 February 2018