Allantoin
Allantoin synonyms
(2,5-Dioxo-4-imidazolidinyl)urea; Cordianine; Sebical; Uniderm A; Hydantoin, 5-ureido-; ALLANTOIN; Allantol; 5-Ureidohydantoin; 5-ureidohydantoin; Alantan; Glyoxyldiureid
Graphical representations:
View large 3D structure
Molecular Formula: C4H6N4O3
Natural Isotopic Abundance Mass: 158.11544
Mono-Isotopic Molecular Masses:
- C12N14: 158.0439900797
- C13N14: 162.0574094309
- C12N15: 162.0321296525
- C13N15: 166.0455490037
InChI string: 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-/m1/s1
PubChem Compound (CID): 204CAS Registry number: 58308-55-7 37305-69-4 97-59-6 5377-33-3
Sigma-Aldrich: 05670_FLUKA
ChEBI: CHEBI:15676
BioCyc: ALLANTOIN
ChemIDplus: 000097596
Caswell No.: 024
ChemSpider: 199
EINECS: 202-592-8
CCRIS: 1958
EPA Pesticide Chemical Code: 085701
CambridgeSoft Corporation: 359
EPA DSSTox: 43
PDSP: Prestwick_11
KEGG Compound ID: D00121
Beilstein Handbook Reference: 5-25-15-00338
NIST Chemistry WebBook: 2428934985
PDB Compound ID: 3AL
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)