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CHEBI:44604 - 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid

ChEBI IDCHEBI:44604
ChEBI Name6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid
Stars
DefinitionAn N-acylamino acid consisting of 6-aminohexanoic acid bearing an N-(4-hydroxy-3-nitrophenyl)acetyl substituent.
Last Modified22 December 2015
DownloadsMolfile
FormulaC14H18N2O6
Net Charge0
Average Mass310.306
Monoisotopic Mass310.11649
SMILESO=C(O)CCCCCNC(=O)Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)
InChIKeyXAYGJFACOIKJCT-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-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) has functional parent 6-aminohexanoic acid (CHEBI:16586)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) is a N-acyl-amino acid (CHEBI:51569)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) is a 2-nitrophenols (CHEBI:86421)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) is conjugate acid of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515)
Incoming Relation(s)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515) is conjugate base of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproyl group (CHEBI:58988) is substituent group from 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604)
IUPAC Name 
6-[2-(4-hydroxy-3-nitrophenyl)acetamido]hexanoic acid
Synonyms  Source
4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACIDPDBeChem
6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoic acidIUPAC
Manual XrefsDatabases
NPPDBeChem