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CHEBI:27911 - N8-acetylspermidine

ChEBI IDCHEBI:27911
ChEBI NameN8-acetylspermidine
Stars
ASCII NameN(8)-acetylspermidine
DefinitionAn acetylspermidine that is 1,8-diamino-4-azaoctane in which one of the hydrogens of the amino group attached to C-8 is replaced by an acetyl group.
Secondary ChEBI IDsCHEBI:7420, CHEBI:21900
Last Modified25 January 2016
DownloadsMolfile
FormulaC9H21N3O
Net Charge0
Average Mass187.287
Monoisotopic Mass187.16846
SMILESCC(=O)NCCCCNCCCN
InChIInChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)
InChIKeyFONIWJIDLJEJTL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N8-acetylspermidine (CHEBI:27911) has role Escherichia coli metabolite (CHEBI:76971)
N8-acetylspermidine (CHEBI:27911) has role human metabolite (CHEBI:77746)
N8-acetylspermidine (CHEBI:27911) is a acetylspermidine (CHEBI:22204)
N8-acetylspermidine (CHEBI:27911) is conjugate base of N8-acetylspermidinium(2+) (CHEBI:58535)
Incoming Relation(s)
N8-acetylspermidinium(2+) (CHEBI:58535) is conjugate acid of N8-acetylspermidine (CHEBI:27911)
IUPAC Name 
N-{4-[(3-aminopropyl)amino]butyl}acetamide
Synonyms  Source
N8-AcetylspermidineKEGG COMPOUND
N8-monoacetylspermidineChemIDplus
Manual XrefsDatabases
C01029KEGG COMPOUND
CPD-3462MetaCyc
Registry NumbersSources
Reaxys:1769094Reaxys
CAS:13431-24-8ChemIDplus
CAS:13431-24-8KEGG COMPOUND
Citations