trimethylenediamine (CHEBI:15725)

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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

Average Mass

74.12498

Monoisotopic Mass

74.08440

InChI

InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2

InChIKey

XFNJVJPLKCPIBV-UHFFFAOYSA-N

SMILES

NCCCN

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Mus musculus (NCBI:txid10090)	From MetaboLights of strain C57bl/6 mouse (NCIT:C14424) See: MetaboLights Study
Chlamydomonas reinhardtii (NCBI:txid3055)	From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702)	From MetaboLights See: MetaboLights Study
Brassica napus (NCBI:txid3708)	From MetaboLights See: MetaboLights Study
Brassica napus (NCBI:txid3708)	From MetaboLights See: MetaboLights Study
Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S (NCBI:txid588858)	From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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.

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

Last Modified

18 April 2024