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CHEBI:44515 - 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate

ChEBI IDCHEBI:44515
ChEBI Name6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid, formed ny proton loss from the carboxy group.
Last Modified22 December 2015
DownloadsMolfile
FormulaC14H17N2O6
Net Charge-1
Average Mass309.298
Monoisotopic Mass309.10921
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)/p-1
InChIKeyXAYGJFACOIKJCT-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515) is a monocarboxylic acid anion (CHEBI:35757)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515) is conjugate base of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604)
Incoming Relation(s)
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid (CHEBI:44604) is conjugate acid of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate (CHEBI:44515)
IUPAC Name 
6-[2-(4-hydroxy-3-nitrophenyl)acetamido]hexanoate
Synonyms  Source
4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANIONPDBeChem
6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoateIUPAC
Manual XrefsDatabases
NPCPDBeChem
DB08295DrugBank