Abbeymycin (CHEBI:222347)

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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	Abbeymycin

ChEBI ID	CHEBI:222347

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16N2O3

Net Charge

Average Mass

248.282

Monoisotopic Mass

248.11609

InChI

InChI=1S/C13H16N2O3/c1-18-12-11-6-8(16)7-15(11)13(17)9-4-2-3-5-10(9)14-12/h2-5,8,11-12,14,16H,6-7H2,1H3/t8-,11-,12-/m0/s1

InChIKey

SSMFXCDUJJPFBJ-UWJYBYFXSA-N

SMILES

O=C1N2[C@H]([C@H](OC)NC3=C1C=CC=C3)C[C@@H](C2)O

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: PubMed

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 benzodiazepine )

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 benzodiazepine )

ChEBI Ontology
Outgoing	Abbeymycin (CHEBI:222347) is a benzodiazepine (CHEBI:22720)

IUPAC Name

(6S,6aS,8S)-8-hydroxy-6-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one