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CHEBI:58101 - N1-acetylsperminium(3+)

ChEBI IDCHEBI:58101
ChEBI NameN1-acetylsperminium(3+)
Stars
ASCII NameN(1)-acetylsperminium(3+)
DefinitionTrication of N1-acetylspermine arising from protonation of the one primary and two secondary amino groups; major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC12H31N4O
Net Charge+3
Average Mass247.407
Monoisotopic Mass247.24814
SMILESCC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+]
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)/p+3
InChIKeyGUNURVWAJRRUAV-UHFFFAOYSA-Q
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
N1-acetylsperminium(3+) (CHEBI:58101) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
N1-acetylsperminium(3+) (CHEBI:58101) has role human metabolite (CHEBI:77746)
N1-acetylsperminium(3+) (CHEBI:58101) is a ammonium ion derivative (CHEBI:35274)
N1-acetylsperminium(3+) (CHEBI:58101) is a organic cation (CHEBI:25697)
N1-acetylsperminium(3+) (CHEBI:58101) is conjugate acid of N1-acetylspermine (CHEBI:17312)
Incoming Relation(s)
N1-acetylspermine (CHEBI:17312) is conjugate base of N1-acetylsperminium(3+) (CHEBI:58101)
IUPAC Name 
N-(3-acetamidopropyl)-N'-(3-azaniumylpropyl)butane-1,4-diaminium
Synonym  Source
N1-acetylsperminium tricationChEBI
UniProt Name  Source
N1-acetylspermineUniProt
Manual XrefsDatabases
N1-ACETYLSPERMINEMetaCyc