CHEBI:214376 - Gallaecimonamide B

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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 Gallaecimonamide B
ChEBI ID CHEBI:214376
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C12H20N2O3
Net Charge 0
Average Mass 240.303
Monoisotopic Mass 240.14739
InChI InChI=1S/C12H20N2O3/c1-8(2)7-9-10(15)14-6-4-5-12(14,17-3)11(16)13-9/h8-9H,4-7H2,1-3H3,(H,13,16)/t9-,12-/m0/s1
InChIKey JNUKJAAEOTUILP-CABZTGNLSA-N
SMILES O=C1N[C@H](C(=O)N2[C@]1(OC)CCC2)CC(C)C
Metabolite of Species Details
Gallaecimonas (NCBI:txid745410) See: PubMed
ChEBI Ontology
Outgoing Gallaecimonamide B (CHEBI:214376) has functional parent α-amino acid (CHEBI:33704)
Gallaecimonamide B (CHEBI:214376) is a organonitrogen compound (CHEBI:35352)
Gallaecimonamide B (CHEBI:214376) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,8aS)-8a-methoxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
Manual Xref Database
86596096 ChemSpider
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