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CHEBI:17312 - N1-acetylspermine

ChEBI IDCHEBI:17312
ChEBI NameN1-acetylspermine
Stars
ASCII NameN(1)-acetylspermine
DefinitionAn acetylspermine carrying an acetyl group at position N1.
Secondary ChEBI IDsCHEBI:7357, CHEBI:12626, CHEBI:21799
Last Modified23 October 2015
DownloadsMolfile
FormulaC12H28N4O
Net Charge0
Average Mass244.383
Monoisotopic Mass244.22631
SMILESCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChIKeyGUNURVWAJRRUAV-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N1-acetylspermine (CHEBI:17312) has role human metabolite (CHEBI:77746)
N1-acetylspermine (CHEBI:17312) is a acetamides (CHEBI:22160)
N1-acetylspermine (CHEBI:17312) is a acetylspermine (CHEBI:22205)
N1-acetylspermine (CHEBI:17312) is conjugate base of N1-acetylsperminium(3+) (CHEBI:58101)
Incoming Relation(s)
N1-acetylsperminium(3+) (CHEBI:58101) is conjugate acid of N1-acetylspermine (CHEBI:17312)
IUPAC Name 
N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
Synonym  Source
N1-AcetylspermineKEGG COMPOUND
Manual XrefsDatabases
C02567KEGG COMPOUND
N1-ACETYLSPERMINEMetaCyc
HMDB0001186HMDB
SP5PDBeChem
Registry NumbersSources
Reaxys:4180788Reaxys
CAS:25593-72-0ChemIDplus
CAS:25593-72-0KEGG COMPOUND
Citations