CHEBI:87837 - ketocytochalasin

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ChEBI Name ketocytochalasin
ChEBI ID CHEBI:87837
Definition A cytochalasan alkaloid found in Aspergillus clavatus.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C28H33NO3
Net Charge 0
Average Mass 431.568
Monoisotopic Mass 431.24604
InChI InChI=1S/C28H33NO3/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)26(17)31/h5-8,10-15,17-18,20,22-23,25H,9,16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20+,22-,23-,25-,28+/m0/s1
InChIKey MZRDRLOYHFZNCS-IZVHRENNSA-N
SMILES C=1[C@H]2[C@@]3(C(N[C@H]([C@@]3([C@@H](C1C)C)[H])CC4=CC=CC=C4)=O)C(=O)C=C[C@@H](C(=O)[C@H](CC=C2)C)C
Metabolite of Species Details
Arthrinium arundinis (NCBI:txidtxid335852) See: PubMed
Aspergillus clavatus (NCBI:txidtxid5057) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via cytochalasan alkaloid )
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 ketocytochalasin (CHEBI:87837) has role Aspergillus metabolite (CHEBI:76956)
ketocytochalasin (CHEBI:87837) is a γ-lactam (CHEBI:74222)
ketocytochalasin (CHEBI:87837) is a cyclic ketone (CHEBI:3992)
ketocytochalasin (CHEBI:87837) is a cytochalasan alkaloid (CHEBI:75946)
ketocytochalasin (CHEBI:87837) is a enone (CHEBI:51689)
ketocytochalasin (CHEBI:87837) is a macrocycle (CHEBI:51026)
ketocytochalasin (CHEBI:87837) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
(3S,3aR,4S,6aS,7E,10S,12S,13E,15aS)-3-benzyl-4,5,10,12-tetramethyl-3,3a,4,6a,9,10-hexahydro-1H-cycloundeca[d]isoindole-1,11,15(2H,12H)-trione
Synonym Source
ketocytochalasin UniProt
Registry Number Type Source
27722608 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24838010 PubMed citation SUBMITTER
25626143 PubMed citation Europe PMC
Last Modified
27 October 2016