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CHEBI:63596 - 5-[(1-phenylcyclohexyl)amino]pentanoic acid

Default Structure
ChEBI IDCHEBI:63596
ChEBI Name5-[(1-phenylcyclohexyl)amino]pentanoic acid
Stars
DefinitionA fatty acid derivative consisting of valeric acid substituted at C-5 with an N-(1-phenylcyclohexyl)amino group.
Last Modified18 January 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H25NO2
Net Charge0
Average Mass275.392
Monoisotopic Mass275.18853
SMILESO=C(O)CCCCNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H25NO2/c19-16(20)11-5-8-14-18-17(12-6-2-7-13-17)15-9-3-1-4-10-15/h1,3-4,9-10,18H,2,5-8,11-14H2,(H,19,20)
InChIKeyRZGZMLICFFEUIQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-[(1-phenylcyclohexyl)amino]pentanoic acid (CHEBI:63596) has functional parent valeric acid (CHEBI:17418)
5-[(1-phenylcyclohexyl)amino]pentanoic acid (CHEBI:63596) has role metabolite (CHEBI:25212)
5-[(1-phenylcyclohexyl)amino]pentanoic acid (CHEBI:63596) is a fatty acid derivative (CHEBI:61697)
5-[(1-phenylcyclohexyl)amino]pentanoic acid (CHEBI:63596) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
5-[(1-phenylcyclohexyl)amino]pentanoic acid
Synonyms  Source
5-(1-Phenylcyclohexylamino)valeric acidChemIDplus
5-[N-(1'-phenylcyclohexyl)amino]pentanoic acidChEBI
5-PchapChemIDplus
PCHPChEBI
Registry NumbersSources
Reaxys:5282428Reaxys
CAS:77160-83-9ChemIDplus
Citations