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CHEBI:83546 - caldopentamine

ChEBI IDCHEBI:83546
ChEBI Namecaldopentamine
Stars
DefinitionA polyazaalkane that is the 1,5,9,13,17-pentaaza derivative of heptodecane.
Last Modified29 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC12H31N5
Net Charge0
Average Mass245.415
Monoisotopic Mass245.25795
SMILESNCCCNCCCNCCCNCCCN
InChIInChI=1S/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2
InChIKeyBELZJFWUNQWBES-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Heterosigma akashiwo (ncbitaxon:2829) - PubMed (19659728)
Chattonella marina var. antiqua (ncbitaxon:859642) - PubMed (19659728)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
caldopentamine (CHEBI:83546) has role marine metabolite (CHEBI:76507)
caldopentamine (CHEBI:83546) is a polyazaalkane (CHEBI:39474)
caldopentamine (CHEBI:83546) is a primary amino compound (CHEBI:50994)
caldopentamine (CHEBI:83546) is a secondary amino compound (CHEBI:50995)
caldopentamine (CHEBI:83546) is conjugate base of caldopentamine(4+) (CHEBI:82769)
Incoming Relation(s)
caldopentamine(4+) (CHEBI:82769) is conjugate acid of caldopentamine (CHEBI:83546)
IUPAC Name 
N-(3-aminopropyl)-N'-{3-[(3-aminopropyl)amino]propyl}propane-1,3-diamine
Synonyms  Source
TetratrimethylenepentamineChemIDplus
tetrapropylenepentamineMetaCyc
Manual XrefsDatabases
CPD-13491MetaCyc
Registry NumbersSources
Reaxys:1933707Reaxys
CAS:13274-42-5ChemIDplus
Citations