EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82769 - caldopentamine(4+)

ChEBI IDCHEBI:82769
ChEBI Namecaldopentamine(4+)
Stars
DefinitionAn organic cation obtained by protonation of four of the five amino groups of caldopentamine.
Last Modified29 October 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H35N5
Net Charge+4
Average Mass249.447
Monoisotopic Mass249.28705
SMILESNCCC[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+4
InChIKeyBELZJFWUNQWBES-UHFFFAOYSA-R
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
caldopentamine(4+) (CHEBI:82769) has role marine metabolite (CHEBI:76507)
caldopentamine(4+) (CHEBI:82769) is a ammonium ion derivative (CHEBI:35274)
caldopentamine(4+) (CHEBI:82769) is a organic cation (CHEBI:25697)
caldopentamine(4+) (CHEBI:82769) is conjugate acid of caldopentamine (CHEBI:83546)
caldopentamine(4+) (CHEBI:82769) is conjugate base of caldopentamine(5+) (CHEBI:82768)
Incoming Relation(s)
caldopentamine(5+) (CHEBI:82768) is conjugate acid of caldopentamine(4+) (CHEBI:82769)
caldopentamine (CHEBI:83546) is conjugate base of caldopentamine(4+) (CHEBI:82769)
IUPAC Name 
N-(3-aminopropyl)-N'-{3-[(3-azaniumylpropyl)azaniumyl]propyl}propane-1,3-diaminium
UniProt Name  Source
caldopentamineUniProt
Citations