EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82768 - caldopentamine(5+)

ChEBI IDCHEBI:82768
ChEBI Namecaldopentamine(5+)
Stars
DefinitionAn organic cation obtained by protonation of the five amino groups of caldopentamine.
Last Modified4 November 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H36N5
Net Charge+5
Average Mass250.455
Monoisotopic Mass250.29433
SMILES[NH3+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]
InChIInChI=1S/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2/p+5
InChIKeyBELZJFWUNQWBES-UHFFFAOYSA-S
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
caldopentamine(5+) (CHEBI:82768) has role marine metabolite (CHEBI:76507)
caldopentamine(5+) (CHEBI:82768) is a ammonium ion derivative (CHEBI:35274)
caldopentamine(5+) (CHEBI:82768) is a organic cation (CHEBI:25697)
caldopentamine(5+) (CHEBI:82768) is conjugate acid of caldopentamine(4+) (CHEBI:82769)
Incoming Relation(s)
caldopentamine(4+) (CHEBI:82769) is conjugate base of caldopentamine(5+) (CHEBI:82768)
IUPAC Name 
N-(3-azaniumylpropyl)-N'-{3-[(3-azaniumylpropyl)azaniumyl]propyl}propane-1,3-diaminium
Synonym  Source
N-(3-ammoniopropyl)-N'-{3-[(3-ammoniopropyl)ammonio]propyl}propane-1,3-diaminiumIUPAC
Manual XrefsDatabases
CPD-13491MetaCyc
Citations