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CHEBI:15725 - trimethylenediamine

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ChEBI Name trimethylenediamine
ChEBI ID CHEBI:15725
Definition An alkane-α,ω-diamine comprising a propane skeleton with amino substituents at positions 1 and 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39528, CHEBI:11166, CHEBI:14901, CHEBI:26285, CHEBI:519
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Formula C3H10N2
Net Charge 0
Average Mass 74.12498
Monoisotopic Mass 74.084
InChI InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKey XFNJVJPLKCPIBV-UHFFFAOYSA-N
SMILES NCCCN
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application(s): reagent
A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trimethylenediamine (CHEBI:15725) has role human metabolite (CHEBI:77746)
trimethylenediamine (CHEBI:15725) has role mouse metabolite (CHEBI:75771)
trimethylenediamine (CHEBI:15725) has role reagent (CHEBI:33893)
trimethylenediamine (CHEBI:15725) is a alkane-α,ω-diamine (CHEBI:35411)
trimethylenediamine (CHEBI:15725) is conjugate base of trimethylenediaminium (CHEBI:57484)
Incoming N-(3-aminopropyl)-N-hydroxyacetamide (CHEBI:74403) has functional parent trimethylenediamine (CHEBI:15725)
trimethylenediaminium (CHEBI:57484) is conjugate acid of trimethylenediamine (CHEBI:15725)
IUPAC Name
propane-1,3-diamine
Synonyms Sources
1,3-Diaminopropane KEGG COMPOUND
1,3-DIAMINOPROPANE PDBeChem
1,3-Propanediamine KEGG COMPOUND
1,3-propylenediamine ChEBI
Propane-1,3-diamine KEGG COMPOUND
tn IUPAC
Trimethylenediamine KEGG COMPOUND
Database Links Databases
1,3-Diaminopropane Wikipedia
13D PDBeChem
C00007404 KNApSAcK
C00986 KEGG COMPOUND
CPD-313 MetaCyc
HMDB00002 HMDB
View more database links
Registry Numbers Types Sources
109-76-2 CAS Registry Number KEGG COMPOUND
109-76-2 CAS Registry Number ChemIDplus
109-76-2 CAS Registry Number NIST Chemistry WebBook
1298 Gmelin Registry Number Gmelin
605277 Beilstein Registry Number Beilstein
605277 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1035932 PubMed citation Europe PMC
10930630 PubMed citation Europe PMC
1238529 PubMed citation Europe PMC
17668437 PubMed citation Europe PMC
4798530 PubMed citation Europe PMC
6042782 PubMed citation Europe PMC
739391 PubMed citation Europe PMC
987217 PubMed citation Europe PMC
Last Modified
27 January 2016