CHEBI:63747 - 6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid
ChEBI ID CHEBI:63747
ChEBI ASCII Name 6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid
Definition A monocarboxylic acid amide compound having an N-(5-carboxypentyl) substituent and a C-[4-(4-nitrophenoxy)-4-oxobutyl)] substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H22N2O7
Net Charge 0
Average Mass 366.36580
Monoisotopic Mass 366.14270
InChI InChI=1S/C17H22N2O7/c20-15(18-12-3-1-2-6-16(21)22)5-4-7-17(23)26-14-10-8-13(9-11-14)19(24)25/h8-11H,1-7,12H2,(H,18,20)(H,21,22)
InChIKey JKKVVRPNOCMQNY-UHFFFAOYSA-N
SMILES OC(=O)CCCCCNC(=O)CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) has functional parent 6-aminohexanoic acid (CHEBI:16586)
6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) is a C-nitro compound (CHEBI:35716)
6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) is a carboxylic ester (CHEBI:33308)
6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) is a monocarboxylic acid (CHEBI:25384)
6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name
6-{[5-(4-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid
Synonyms Sources
4-nitrophenyl 5-[(5-carboxypentyl)amino]-5-oxopentanoate ChEBI
nP-E1 ChEBI
Citation Waiting for Citations Type Source
9826512 PubMed citation Europe PMC
Last Modified
05 March 2014