EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
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)
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
1-N-acetylspermidineChemIDplus
N1-AcetylspermidineKEGG COMPOUND
Manual XrefsDatabases
C00612KEGG COMPOUND
CPD-568MetaCyc
HMDB0001276HMDB
Registry NumbersSources
Reaxys:4176501Reaxys
CAS:14278-49-0ChemIDplus
Citations