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CHEBI:30837 - allantoic acid

Default Structure
ChEBI IDCHEBI:30837
ChEBI Nameallantoic acid
Stars
DefinitionA member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively.
Secondary ChEBI IDsCHEBI:2593, CHEBI:22353
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H8N4O4
Net Charge0
Average Mass176.132
Monoisotopic Mass176.05455
SMILESNC(=O)NC(NC(N)=O)C(=O)O
InChIInChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
InChIKeyNUCLJNSWZCHRKL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
allantoic acid (CHEBI:30837) has role mouse metabolite (CHEBI:75771)
allantoic acid (CHEBI:30837) has role plant metabolite (CHEBI:76924)
allantoic acid (CHEBI:30837) is a ureas (CHEBI:47857)
allantoic acid (CHEBI:30837) is conjugate acid of allantoate (CHEBI:17536)
Incoming Relation(s)
allantoate (CHEBI:17536) is conjugate base of allantoic acid (CHEBI:30837)
IUPAC Name 
bis(carbamoylamino)acetic acid
Synonyms  Source
Allantoic acidKEGG COMPOUND
bis[(aminocarbonyl)amino]acetic acidChEBI
diureidoacetic acidChemIDplus
Manual XrefsDatabases
1ALPDBeChem
ALLANTOATEMetaCyc
Allantoic_acidWikipedia
C00007470KNApSAcK
C00499KEGG COMPOUND
HMDB0001209HMDB
Registry NumbersSources
Reaxys:1790227Reaxys
Gmelin:240954Gmelin
CAS:99-16-1KEGG COMPOUND
CAS:99-16-1ChemIDplus
Citations