CHEBI:68203 - asperparaline A

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ChEBI Name asperparaline A
ChEBI ID CHEBI:68203
Definition An alkaloid isolated from Aspergillus aculeatus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000535385293
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Formula C20H29N3O3
Net Charge 0
Average Mass 359.46260
Monoisotopic Mass 359.22089
InChI InChI=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
InChIKey RTNMRJRMTGSUAE-DWPFRNKMSA-N
SMILES C[C@@H]1CCN2C[C@@]34C[C@@]5(CC(=O)N(C)C5=O)C(C)(C)[C@H]3C[C@@]12C(=O)N4C
Metabolite of Species Details
Aspergillus aculeatus (NCBI:txid5053) Found in mycelium (BTO:0001436). MeOH extract of macerated mycelia of fungus isolated from sponge Xesto-spongia testudinaria of strain CRI323 04 See: PubMed
Roles Classification
Biological Role(s): 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
aspergillimide ChEBI
Registry Number Type Source
7888526 Reaxys Registry Number Reaxys
Citations Types Sources
10705455 PubMed citation Europe PMC
21667999 PubMed citation Europe PMC
Last Modified
13 January 2014