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CHEBI:230853 - Imidazolone A

ChEBI IDCHEBI:230853
ChEBI NameImidazolone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O6
Net Charge0
Average Mass318.330
Monoisotopic Mass318.15393
SMILESNC(CCC/N=C1\NC(=O)C(CC(O)C(O)CO)N1)C(=O)O
InChIInChI=1S/C12H22N4O6/c13-6(11(21)22)2-1-3-14-12-15-7(10(20)16-12)4-8(18)9(19)5-17/h6-9,17-19H,1-5,13H2,(H,21,22)(H2,14,15,16,20)
InChIKeyHZDLKNOGBSMKRN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Imidazolone A (CHEBI:230853) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-amino-5-[[4-oxo-5-(2,3,4-trihydroxybutyl)imidazolidin-2-ylidene]amino]pentanoic acid
Manual XrefsDatabases
HMDB0253421HMDB