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CHEBI:63483 - 6-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid

ChEBI IDCHEBI:63483
ChEBI Name6-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid
Stars
DefinitionAn N-acylamino acid that consists of 6-aminohexanoic acid bearing an N-(3-bromo-4-hydroxy-5-nitrophenyl)acetyl substituent.
Last Modified21 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H17BrN2O6
Net Charge0
Average Mass389.202
Monoisotopic Mass388.02700
SMILESO=C(O)CCCCCNC(=O)Cc1cc(Br)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17BrN2O6/c15-10-6-9(7-11(14(10)21)17(22)23)8-12(18)16-5-3-1-2-4-13(19)20/h6-7,21H,1-5,8H2,(H,16,18)(H,19,20)
InChIKeyRSADQOMOZNOEQE-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-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid (CHEBI:63483) has functional parent 6-aminohexanoic acid (CHEBI:16586)
6-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid (CHEBI:63483) is a N-acyl-amino acid (CHEBI:51569)
6-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid (CHEBI:63483) is a 2-nitrophenols (CHEBI:86421)
6-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid (CHEBI:63483) is a organobromine compound (CHEBI:37141)
Incoming Relation(s)
6-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]caproyl group (CHEBI:63482) is substituent group from 6-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid (CHEBI:63483)
IUPAC Name 
6-{[(3-bromo-4-hydroxy-5-nitrophenyl)acetyl]amino}hexanoic acid
Synonym  Source
6-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]hexanoic acidChEBI