N-(4-ammoniobutylpyrrolinium) ion(2+) (CHEBI:228188)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-(4-ammoniobutylpyrrolinium) ion(2+)

ChEBI ID	CHEBI:228188

ChEBI ASCII Name	N-(4-ammoniobutylpyrrolinium) ion(2+)

Definition	Major species at pH 7.3

Stars	This entity has been manually annotated by a third party.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C8H18N2

Net Charge

Average Mass

142.245

Monoisotopic Mass

142.14590

InChI

InChI=1S/C8H17N2/c9-5-1-2-6-10-7-3-4-8-10/h7H,1-6,8-9H2/q+1/p+1

InChIKey

PSISLYNHYRYJFB-UHFFFAOYSA-O

SMILES

C1=[N+](CCC1)CCCC[NH3+]

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via 1-pyrrolinium )

ChEBI Ontology
Outgoing	N-(4-ammoniobutylpyrrolinium) ion(2+) (CHEBI:228188) is a 1-pyrrolinium (CHEBI:36781) N-(4-ammoniobutylpyrrolinium) ion(2+) (CHEBI:228188) is a primary ammonium ion (CHEBI:65296)

Synonym	Source
N-(4-aminobutylpyrrolinium) ion	UniProt

Citation	Type	Source
35212762	PubMed citation	SUBMITTER