Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:83546 - caldopentamine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
caldopentamine
ChEBI ID
CHEBI:83546
Definition
A polyazaalkane that is the 1,5,9,13,17-pentaaza derivative of heptodecane.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C12H31N5
Net Charge
0
Average Mass
245.40800
Monoisotopic Mass
245.25795
InChI
InChI=1S/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2
InChIKey
BELZJFWUNQWBES-UHFFFAOYSA-N
SMILES
NCCCNCCCNCCCNCCCN
Metabolite of Species
Details
Heterosigma akashiwo
(NCBI:txid2829)
See:
PubMed
Chattonella marina
var.
antiqua
(NCBI:txid859642)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
Sources
tetrapropylenepentamine
MetaCyc
Tetratrimethylenepentamine
ChemIDplus
Manual Xref
Database
CPD-13491
MetaCyc
View more database links
Registry Numbers
Types
Sources
13274-42-5
CAS Registry Number
ChemIDplus
1933707
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19659728
PubMed citation
Europe PMC
21318868
PubMed citation
Europe PMC
23700086
PubMed citation
Europe PMC
7107617
PubMed citation
Europe PMC
Last Modified
29 October 2014