CHEBI:15676 - allantoin

ChEBI IDCHEBI:15676
ChEBI Nameallantoin
Stars
DefinitionAn imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen.
Secondary ChEBI IDsCHEBI:2594, CHEBI:13761, CHEBI:22354
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H6N4O3
Net Charge0
Average Mass158.117
Monoisotopic Mass158.04399
SMILESNC(=O)NC1NC(=O)NC1=O
InChIInChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKeyPOJWUDADGALRAB-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
Application:
vulnerary  A drug used in treating and healing of wounds.
ChEBI Ontology
Outgoing Relation(s)
allantoin (CHEBI:15676) has functional parent hydantoin (CHEBI:27612)
allantoin (CHEBI:15676) has role Escherichia coli metabolite (CHEBI:76971)
allantoin (CHEBI:15676) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
allantoin (CHEBI:15676) has role human metabolite (CHEBI:77746)
allantoin (CHEBI:15676) has role vulnerary (CHEBI:73336)
allantoin (CHEBI:15676) is a imidazolidine-2,4-dione (CHEBI:24628)
allantoin (CHEBI:15676) is a ureas (CHEBI:47857)
allantoin (CHEBI:15676) is tautomer of 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea (CHEBI:74345)
Incoming Relation(s)
(R)-(−)-allantoin (CHEBI:15677) is a allantoin (CHEBI:15676)
(S)-(+)-allantoin (CHEBI:15678) is a allantoin (CHEBI:15676)
1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea (CHEBI:74345) is tautomer of allantoin (CHEBI:15676)
IUPAC Name 
N-(2,5-dioxoimidazolidin-4-yl)urea
Synonyms  Source
AllantoinKEGG COMPOUND
5-UreidohydantoinKEGG COMPOUND
GlyoxyldiureideKEGG COMPOUND
5-Ureido-2,4-imidazolidindioneChemIDplus
(2,5-Dioxo-4-imidazolidinyl)ureaChemIDplus
4-ureido-2,5-imidazolidinedioneHMDB
UniProt Name  Source
allantoinUniProt
Manual XrefsDatabases
C01551KEGG COMPOUND
D00121KEGG DRUG
HMDB0000462HMDB
ALLANTOINMetaCyc
AllantoinWikipedia
US2158098Patent
C00007468KNApSAcK
LSM-5190LINCS
4268DrugCentral
Registry NumbersSources
Reaxys:83514Reaxys
CAS:97-59-6KEGG COMPOUND
CAS:97-59-6ChemIDplus
CAS:97-59-6NIST Chemistry WebBook
Citations