alpha-putrescinylthymine (CHEBI:132931)

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ChEBI Name	α-putrescinylthymine

ChEBI ID	CHEBI:132931

ChEBI ASCII Name	alpha-putrescinylthymine

Definition	An N-substituted putrescine that is thymine in which a hydrogen of the methyl group has been replaced by one of the amino groups of putrescine. It replaces about half of the thymine residues in the DNA of bacetriophage φW-14.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C9H16N4O2

Net Charge

Average Mass

212.249

Monoisotopic Mass

212.12733

InChI

InChI=1S/C9H16N4O2/c10-3-1-2-4-11-5-7-6-12-9(15)13-8(7)14/h6,11H,1-5,10H2,(H2,12,13,14,15)

InChIKey

IBOLVNKLOOYDDG-UHFFFAOYSA-N

SMILES

N1C=C(C(NC1=O)=O)CNCCCCN

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

ChEBI Ontology
Outgoing	α-putrescinylthymine (CHEBI:132931) has functional parent thymine (CHEBI:17821) α-putrescinylthymine (CHEBI:132931) is a N-substituted putrescine (CHEBI:26406) α-putrescinylthymine (CHEBI:132931) is a pyrimidine nucleobase (CHEBI:26432) α-putrescinylthymine (CHEBI:132931) is a pyrimidone (CHEBI:38337) α-putrescinylthymine (CHEBI:132931) is a secondary amino compound (CHEBI:50995) α-putrescinylthymine (CHEBI:132931) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

5-{[(4-aminobutyl)amino]methyl}pyrimidine-2,4(1H,3H)-dione

Synonyms	Sources
5-(4-aminobutylaminomethyl)uracil	ChemIDplus
N-thyminylputrescine	ChEBI
Putthy	ChemIDplus

Registry Number	Type	Source
40451-54-5	CAS Registry Number	ChemIDplus

Last Modified

06 August 2016