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CHEBI:132931 - α-putrescinylthymine

ChEBI IDCHEBI:132931
ChEBI Nameα-putrescinylthymine
Stars
ASCII Namealpha-putrescinylthymine
DefinitionAn N-substituted putrescine that is thymine in which a hydrogen of the methyl group has been replaced by one of the amino groups of putrescine.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.
Last Modified6 August 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H16N4O2
Net Charge0
Average Mass212.253
Monoisotopic Mass212.12733
SMILESNCCCCNCc1cnc(=O)nc1=O
InChIInChI=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)
InChIKeyIBOLVNKLOOYDDG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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  Source
PutthyChemIDplus
5-(4-aminobutylaminomethyl)uracilChemIDplus
N-thyminylputrescineChEBI
Registry NumbersSources
CAS:40451-54-5ChemIDplus
Citations