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3-nitrotyramine

PropertiesImage
MNX_IDMNXM97190 Image of MNXM97190
referencechebi:71286
formulaC8H10N2O3
global charge0
mol weight182.179
InChIKeyIUCYCHQMRZWPGT-UHFFFAOYSA-N
InChIInChI=1S/C8H10N2O3/c9-4-3-6-1-2-8(11)7(5-6)10(12)13/h1-2,5,11H,3-4,9H2
SMILES[NH3+]CCC1=CC=C([O-])C([N+](=O)[O-])=C1
MNX internals
InChI (mnx)InChI=1/C8H10N2O3/c9-4-3-6-1-2-8(11)7(5-6)10(12)13/h1-2,5,11H,3-4,9H2 Image of MNXM97190
SMILES (mnx)[CH:1]1=[CH:2][C:8]([OH:11])=[C:7]([N+:10]([O-:12])=[O:13])[CH:5]=[C:6]1[CH2:3][CH2:4][NH2:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71286
chebi:71286
IUCYCHQMRZWPGT-UHFFFAOYSA-N 		3-nitrotyramine
3-nitrotyramine zwitterion
4-(2-aminoethyl)-2-nitrophenol
4-(2-ammonioethyl)-2-nitrophenolate
4-(2-azaniumylethyl)-2-nitrophenolate

bigg.metabolite:3ntym
biggM:3ntym 		3 Nitrotyramine

envipath:...e08df8e6dcbc
envipathM:...e08df8e6dcbc
IUCYCHQMRZWPGT-UHFFFAOYSA-N 		3-Nitrotyramine

CHEBI:71233
chebi:71233
IUCYCHQMRZWPGT-UHFFFAOYSA-N 		3-nitrotyramine
1-amino-2-(3-nitro-4-hydroxyphenyl)ethane
4-(2-aminoethyl)-2-nitrophenol
4-hydroxy-3-nitrophenethylamine

biggM:M_3ntym 		secondary/obsolete/fantasy identifier