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CHEBI:68203 - asperparaline A

ChEBI IDCHEBI:68203
ChEBI Nameasperparaline A
Stars
DefinitionAn alkaloid isolated from Aspergillus aculeatus.
Last Modified13 January 2014
DownloadsMolfile
FormulaC20H29N3O3
Net Charge0
Average Mass359.470
Monoisotopic Mass359.22089
SMILES[H][C@]12C[C@]34C(=O)N(C)[C@]1(CN3CC[C@H]4C)C[C@@]1(CC(=O)N(C)C1=O)C2(C)C
InChIInChI=1S/C20H29N3O3/c1-12-6-7-23-11-19-10-18(9-14(24)21(4)15(18)25)17(2,3)13(19)8-20(12,23)16(26)22(19)5/h12-13H,6-11H2,1-5H3/t12-,13-,18-,19+,20+/m1/s1
InChIKeyRTNMRJRMTGSUAE-DWPFRNKMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) mycelium (BTO:0001436) PubMed (21667999) MeOH extract of macerated mycelia of fungus isolated from sponge Xesto-spongia testudinaria Strain: CRI323 04
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
asperparaline A (CHEBI:68203) has role Aspergillus metabolite (CHEBI:76956)
asperparaline A (CHEBI:68203) is a alkaloid (CHEBI:22315)
asperparaline A (CHEBI:68203) is a azaspiro compound (CHEBI:35624)
asperparaline A (CHEBI:68203) is a dicarboximide (CHEBI:35356)
IUPAC Name 
(1R,5aR,7R,8aR,9aS)-1,1',8,8,11-pentamethyltetrahydro-1H,2'H,5'H,8H,10H-spiro[5a,9a-(epiminomethano)cyclopenta[f]indolizine-7,3'-pyrrolidine]-2',5',10-trione
Synonym  Source
aspergillimideChEBI
Registry NumbersSources
Reaxys:7888526Reaxys
Citations