EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:58324 - N1-acetylspermidinium(2+)

ChEBI IDCHEBI:58324
ChEBI NameN1-acetylspermidinium(2+)
Stars
ASCII NameN(1)-acetylspermidinium(2+)
DefinitionA doubly-charged ammonium ion arising from protonation of the primary and secondary amino groups of N1-acetylspermidine; major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC9H23N3O
Net Charge+2
Average Mass189.303
Monoisotopic Mass189.18302
SMILESCC(=O)NCCC[NH2+]CCCC[NH3+]
InChIInChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2
InChIKeyMQTAVJHICJWXBR-UHFFFAOYSA-P
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-acetylspermidinium(2+) (CHEBI:58324) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
N1-acetylspermidinium(2+) (CHEBI:58324) has role human metabolite (CHEBI:77746)
N1-acetylspermidinium(2+) (CHEBI:58324) is a ammonium ion derivative (CHEBI:35274)
N1-acetylspermidinium(2+) (CHEBI:58324) is a organic cation (CHEBI:25697)
N1-acetylspermidinium(2+) (CHEBI:58324) is conjugate acid of N1-acetylspermidine (CHEBI:17927)
Incoming Relation(s)
N1-acetylspermidine (CHEBI:17927) is conjugate base of N1-acetylspermidinium(2+) (CHEBI:58324)
IUPAC Name 
N-(3-acetamidopropyl)butane-1,4-diaminium
Synonyms  Source
N1-acetylspermidiniumChEBI
N1-acetylspermidinium dicationChEBI
UniProt Name  Source
N1-acetylspermidineUniProt