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CHEBI:1670 - 3-ureidoisobutyric acid

ChEBI IDCHEBI:1670
ChEBI Name3-ureidoisobutyric acid
Stars
DefinitionA ureidocarboxylic acid that is 2-methylpropanoic acid substituted by a carbamoylamino group at position 3.
Last Modified27 January 2016
DownloadsMolfile
FormulaC5H10N2O3
Net Charge0
Average Mass146.146
Monoisotopic Mass146.06914
SMILESCC(CNC(N)=O)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)
InChIKeyPHENTZNALBMCQD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-ureidoisobutyric acid (CHEBI:1670) has role human metabolite (CHEBI:77746)
3-ureidoisobutyric acid (CHEBI:1670) has role mouse metabolite (CHEBI:75771)
3-ureidoisobutyric acid (CHEBI:1670) is a ureidocarboxylic acid (CHEBI:49052)
3-ureidoisobutyric acid (CHEBI:1670) is conjugate acid of 3-ureidoisobutyrate(1−) (CHEBI:74414)
Incoming Relation(s)
3-ureidoisobutyrate(1−) (CHEBI:74414) is conjugate base of 3-ureidoisobutyric acid (CHEBI:1670)
IUPAC Name 
3-carbamoylamino-2-methylpropanoic acid
Synonyms  Source
3-((aminocarbonyl)amino)-2-methylpropanoic acidChemIDplus
3-UreidoisobutyrateKEGG COMPOUND
β-UBAChemIDplus
β-ureidoisobutyric acidChemIDplus
Manual XrefsDatabases
3-UREIDO-ISOBUTYRATEMetaCyc
C05100KEGG COMPOUND
HMDB0002031HMDB
Registry NumbersSources
Reaxys:1768736Reaxys
CAS:2905-86-4ChemIDplus
Citations