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CHEBI:17927 - N1-acetylspermidine

ChEBI IDCHEBI:17927
ChEBI NameN1-acetylspermidine
Stars
ASCII NameN(1)-acetylspermidine
DefinitionAn acetylspermidine having the acetyl group at the N1-position.
Secondary ChEBI IDsCHEBI:7356, CHEBI:12625, CHEBI:21798
Last Modified25 January 2016
DownloadsMolfile
FormulaC9H21N3O
Net Charge0
Average Mass187.287
Monoisotopic Mass187.16846
SMILESCC(=O)NCCCNCCCCN
InChIInChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)
InChIKeyMQTAVJHICJWXBR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
N1-acetylspermidine (CHEBI:17927) has role Escherichia coli metabolite (CHEBI:76971)
N1-acetylspermidine (CHEBI:17927) has role metabolite (CHEBI:25212)
N1-acetylspermidine (CHEBI:17927) is a acetylspermidine (CHEBI:22204)
N1-acetylspermidine (CHEBI:17927) is conjugate base of N1-acetylspermidinium(2+) (CHEBI:58324)
Incoming Relation(s)
N1-acetylspermidinium(2+) (CHEBI:58324) is conjugate acid of N1-acetylspermidine (CHEBI:17927)
IUPAC Name 
N-{3-[(4-aminobutyl)amino]propyl}acetamide
Synonyms  Source
N1-AcetylspermidineKEGG COMPOUND
1-N-acetylspermidineChemIDplus
Manual XrefsDatabases
C00612KEGG COMPOUND
HMDB0001276HMDB
CPD-568MetaCyc
Registry NumbersSources
Reaxys:4176501Reaxys
CAS:14278-49-0ChemIDplus
Citations