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CHEBI:53087 - 6-(4-hydroxy-5-iodo-3-nitrobenzamido)hexanoic acid

ChEBI IDCHEBI:53087
ChEBI Name6-(4-hydroxy-5-iodo-3-nitrobenzamido)hexanoic acid
Stars
DefinitionA carboxamide compound having an N-(5-carboxypentyl) substituent and a C-(4-hydroxy--5-iodo-3-nitrophenyl) substituent.
Last Modified21 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC13H15IN2O6
Net Charge0
Average Mass422.175
Monoisotopic Mass421.99748
SMILESO=C(O)CCCCCNC(=O)c1cc(I)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H15IN2O6/c14-9-6-8(7-10(12(9)19)16(21)22)13(20)15-5-3-1-2-4-11(17)18/h6-7,19H,1-5H2,(H,15,20)(H,17,18)
InChIKeyYRSRBWYEXNTPBJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-(4-hydroxy-5-iodo-3-nitrobenzamido)hexanoic acid (CHEBI:53087) has functional parent 6-aminohexanoic acid (CHEBI:16586)
6-(4-hydroxy-5-iodo-3-nitrobenzamido)hexanoic acid (CHEBI:53087) is a N-acyl-amino acid (CHEBI:51569)
6-(4-hydroxy-5-iodo-3-nitrobenzamido)hexanoic acid (CHEBI:53087) is a 2-nitrophenols (CHEBI:86421)
6-(4-hydroxy-5-iodo-3-nitrobenzamido)hexanoic acid (CHEBI:53087) is a monocarboxylic acid (CHEBI:25384)
6-(4-hydroxy-5-iodo-3-nitrobenzamido)hexanoic acid (CHEBI:53087) is a organoiodine compound (CHEBI:37142)
IUPAC Name 
6-[(4-hydroxy-3-iodo-5-nitrobenzoyl)amino]hexanoic acid
Synonym  Source
NIPChEBI
Citations