3'-Hydroxyamobarbital (CHEBI:230953)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3'-Hydroxyamobarbital

ChEBI ID	CHEBI:230953

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18N2O4

Net Charge

Average Mass

242.275

Monoisotopic Mass

242.12666

InChI

InChI=1S/C11H18N2O4/c1-4-11(6-5-10(2,3)17)7(14)12-9(16)13-8(11)15/h17H,4-6H2,1-3H3,(H2,12,13,14,15,16)

InChIKey

PUVZPWLDMBLALZ-UHFFFAOYSA-N

SMILES

OC(CCC1(CC)C(=O)NC(=O)NC1=O)(C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	3'-Hydroxyamobarbital (CHEBI:230953) is a 9,11,15-octadecatrienoic acid (CHEBI:38387)

IUPAC Name

5-ethyl-5-(3-hydroxy-3-methylbutyl)-1,3-diazinane-2,4,6-trione