(S)-(+)-allantoin (CHEBI:15678)

CHEBI:15678 - (S)-(+)-allantoin

ChEBI ID	CHEBI:15678
ChEBI Name	(S)-(+)-allantoin
Stars
ASCII Name	(S)-(+)-allantoin
Definition	An optically active form of allantoin having (S)-(+)-configuration.
Secondary ChEBI IDs	CHEBI:366, CHEBI:11024, CHEBI:18724
Last Modified	12 July 2018
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C4H6N4O3
Net Charge	0
Average Mass	158.117
Monoisotopic Mass	158.04399
SMILES	NC(=O)N[C@H]1NC(=O)NC1=O
InChI	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
InChIKey	POJWUDADGALRAB-SFOWXEAESA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

vulnerary A drug used in treating and healing of wounds.

ChEBI Ontology

Outgoing Relation(s)
	(S)-(+)-allantoin (CHEBI:15678) has role mouse metabolite (CHEBI:75771)
	(S)-(+)-allantoin (CHEBI:15678) is a allantoin (CHEBI:15676)
	(S)-(+)-allantoin (CHEBI:15678) is enantiomer of (R)-(−)-allantoin (CHEBI:15677)
Incoming Relation(s)
	hapten OTAf (CHEBI:141331) is a (S)-(+)-allantoin (CHEBI:15678)
	(R)-(−)-allantoin (CHEBI:15677) is enantiomer of (S)-(+)-allantoin (CHEBI:15678)

IUPAC Name
N-[(4S)-2,5-dioxoimidazolidin-4-yl]urea

Synonyms	Source
(S)(+)-Allantoin	KEGG COMPOUND
(S)-Allantoin	KEGG COMPOUND

UniProt Name	Source
(S)-allantoin	UniProt

Registry Numbers	Sources
Reaxys:83513	Reaxys