FComEx: Allantoin (PC000063)

Record Information

Version

1.0

Creation date

2015-10-09 22:27:50 UTC

Update date

2017-01-19 02:36:11 UTC

FoodComEx ID

PC000063

FoodDB Record

FDB001613

Chemical Information

Name

Allantoin

Description

Allantoin, also known as glyoxyldiureide or 5-ureidohydantoin, belongs to the class of organic compounds known as imidazoles. Imidazoles are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms. An imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen. Allantoin is an extremely weak basic (essentially neutral) compound (based on its pKa). Allantoin exists in all living species, ranging from bacteria to humans. Outside of the human body, Allantoin is found, on average, in the highest concentration within milk (cow) and borages. Allantoin has also been detected, but not quantified in, several different foods, such as sour cherries, italian sweet red peppers, longans, sweet bay, and lambsquarters. This could make allantoin a potential biomarker for the consumption of these foods. Allantoin is a potentially toxic compound.

CAS Number

97-59-6

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(+/-)-allantoin	biospider
(2,5-Dioxo-4-imidazolidinyl)urea	biospider
1-(2,5-dioxoimidazolidin-4-yl)urea	biospider
2,5-Dioxo-4-imidazolidinyl-urea	biospider
2,5-Imidazolidinedione, 4-ureido-	biospider
4-ureido-2,5-Imidazolidinedione	biospider
5-Ureido-2,4-imidazolidindion	biospider
5-ureido-Hydantoin	biospider
5-Ureidohydantoin	biospider
5-Ureidohydrantoin	biospider
Alantan	biospider
Allantoin (8CI)	biospider
Allantoin (jan/usp)	biospider
Allantoin [usan:ban]	biospider
Allantoin campbell brand	biospider
Allantoin sween brand	biospider
Allantol	biospider
Alloxantin	biospider
Campbell brand of allantoin	biospider
Cordianine	biospider
Cutemol emollient	biospider
DL-allantoin	biospider
Fancol toin	biospider
Glyoxyldiureid	biospider
Glyoxyldiureide	biospider
Glyoxylic diureide	biospider
Glyoxylic(acid) diureide	biospider
Hemocane	biospider
Herpecin l	biospider
Herpecin-l	biospider
Herpecinl	biospider
Hydantoin, 5-ureido-	biospider
N-(2,5-Dioxo-4-imidazolidinyl)urea	biospider
N-(2,5-dioxoimidazolidin-4-yl)urea	biospider
N-[2,5-dioxoimidazolidin-4-yl]urea	biospider
Paxyl	biospider
Psoralon	biospider
Reed & carnrick brand of allantoin	biospider
Sebical	biospider
Septalan	biospider
Skin strategies for men-soothing moisturizer	biospider
Sween brand of allantoin	biospider
Uniderm a	biospider
Urea, (2, 5-dioxo-4-imidazolidinyl)-	biospider
Urea, (2,5-dioxo-4-imidazolidinyl)-	biospider
Urea, (2,5-dioxo-4-imidazolidinyl)- (9CI)	biospider
Urea, N-(2,5-dioxo-4-imidazolidinyl)-	biospider
Ureidohydantoin	biospider
Woun'dres	biospider

Chemical Formula

C4H6N4O3

IUPAC name

(2,5-dioxoimidazolidin-4-yl)urea

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)

InChI Key

POJWUDADGALRAB-UHFFFAOYSA-N

Isomeric SMILES

NC(=O)NC1NC(=O)NC1=O

Average Molecular Weight

158.1154

Monoisotopic Molecular Weight

158.043990078

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as imidazoles. Imidazoles are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azoles

Sub Class

Imidazoles

Direct Parent

Imidazoles

Alternative Parents