Epoxy-hexobarbital (CHEBI:169605)

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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	Epoxy-hexobarbital

ChEBI ID	CHEBI:169605

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16N2O4

Net Charge

Average Mass

252.270

Monoisotopic Mass

252.11101

InChI

InChI=1S/C12H16N2O4/c1-11(12-6-4-3-5-7(12)18-12)8(15)13-10(17)14(2)9(11)16/h7H,3-6H2,1-2H3,(H,13,15,17)

InChIKey

WOWLNDOPAUTOTH-UHFFFAOYSA-N

SMILES

O1C2(C1CCCC2)C3(C)C(=O)N(C(=O)NC3=O)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Biological Role(s):	GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. (via barbiturates )

Application(s):	GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. (via barbiturates )

ChEBI Ontology
Outgoing	Epoxy-hexobarbital (CHEBI:169605) is a barbiturates (CHEBI:22693)

IUPAC Name

1,5-dimethyl-5-(7-oxabicyclo[4.1.0]heptan-1-yl)-1,3-diazinane-2,4,6-trione

Registry Number	Type	Source
66403-25-6	CAS Registry Number	ChemIDplus