Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:48:13 UTC
Update Date2022-08-31 17:37:57 UTC
Metabolite IDMMDBc0029955
Metabolite Identification
Common Name(S)(+)-Allantoin
DescriptionAllantoin is a chemical compound with formula C4H6N4O3. It is also called 5-ureidohydantoin, glyoxyldiureide, and 5-ureidohydantoin. It is a product of oxidation of uric acid. It is a diureide of glyoxylic acid. (Wikipedia) In E. coli K-12, the enzyme allantoinase (EC 3.5.2.5) catalyzes the conversion of (S)(+)-Allantoin to Allantoate (KEGG).
Structure
Synonyms
ValueSource
(S)-AllantoinChEBI
Molecular FormulaC4H6N4O3
Average Mass158.1154
Monoisotopic Mass158.043990078
IUPAC NameN-[(4S)-2,5-dihydroxy-4H-imidazol-4-yl]carbamimidic acid
Traditional NameN-[(4S)-2,5-dihydroxy-4H-imidazol-4-yl]carbamimidic acid
CAS Registry Number97-59-6
SMILES
[H][C@]1(NC(O)=N)N=C(O)N=C1O
InChI Identifier
InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m0/s1
InChI KeyPOJWUDADGALRAB-SFOWXEAESA-N