Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 22:46:46 UTC
Update Date2024-04-30 20:41:25 UTC
Metabolite IDMMDBc0049944
Metabolite Identification
Common NameN-Carbamoylputrescine
DescriptionN-Carbamoylputrescine is found in cereals and cereal products. N-Carbamoylputrescine is an alkaloid from Hordeum vulgare (barley) and Sesamum indicum (sesame).
Structure
Synonyms
ValueSource
(4-Aminobutyl)-ureaHMDB
1-(4-Aminobutyl)ureaHMDB
(4-Aminobutyl)ureaHMDB
1-Amino-4-ureidobutaneHMDB
N-(4-Aminobutyl)ureaHMDB
N-CarbamoylputrescineHMDB
N-CarbamylputrescineHMDB
Molecular FormulaC5H13N3O
Average Mass131.1762
Monoisotopic Mass131.105862053
IUPAC Name(4-aminobutyl)urea
Traditional NameN-carbamoylputrescine
CAS Registry Number6851-51-0
SMILES
NCCCCNC(N)=O
InChI Identifier
InChI=1S/C5H13N3O/c6-3-1-2-4-8-5(7)9/h1-4,6H2,(H3,7,8,9)
InChI KeyYANFYYGANIYHGI-UHFFFAOYSA-N