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CHEBI:64860 - aminopropylcadaverine

ChEBI IDCHEBI:64860
ChEBI Nameaminopropylcadaverine
Stars
DefinitionA polyazaalkane that is the 1,4,11-triaza derivative of undecane.
Last Modified25 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC8H21N3
Net Charge0
Average Mass159.277
Monoisotopic Mass159.17355
SMILESNCCCCCNCCCN
InChIInChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2
InChIKeyQZBYOYPROVGOGE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
aminopropylcadaverine (CHEBI:64860) has role Escherichia coli metabolite (CHEBI:76971)
aminopropylcadaverine (CHEBI:64860) is a polyazaalkane (CHEBI:39474)
aminopropylcadaverine (CHEBI:64860) is a triamine (CHEBI:38751)
aminopropylcadaverine (CHEBI:64860) is conjugate base of aminopropylcadaverine(3+) (CHEBI:64858)
Incoming Relation(s)
aminopropylcadaverine(3+) (CHEBI:64858) is conjugate acid of aminopropylcadaverine (CHEBI:64860)
IUPAC Name 
N-(3-aminopropyl)pentane-1,5-diamine
Synonyms  Source
N-(3-Aminopropyl)cadaverineChemIDplus
3-ApcadChemIDplus
N-3-aminopropyl-1,5-diaminopentaneHMDB
N-(3-aminopropyl)-1,5-pentanediamineHMDB
Manual XrefsDatabases
C16565KEGG COMPOUND
HMDB0012189HMDB
CPD0-1065MetaCyc
Registry NumbersSources
Reaxys:1739675Reaxys
CAS:56-19-9KEGG COMPOUND
CAS:56-19-9ChemIDplus
Citations