acetylaszonalenin

naturalproductmech:mibig-fd260f24d4 MINTED SEEDED

Grounding review: No 3-star ChEBI entry shares this structure, so the record keeps a content-hashed identifier.

What these status tags mean

Curation status describes a workflow state. SEEDED means the record entered through the source-seeding workflow; it does not imply that no later curation occurred. PROPOSED marks an addition awaiting review; REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record. These are workflow decisions, not independently verified human review. Agent-assisted contributions may appear in the record history.

Grounding describes the identifier mapping: EXACT uses an ontology identity asserted by the source; MINTED keeps a local identifier when no defensible ontology identity is available; REVIEW_NEEDED flags an exact structure whose ontology identity needs adjudication. The grounding note retains any unresolved alternatives. These tags do not establish the strength of producer or activity evidence.

Structure

Standard InChIKey	TXNJQKDZOVFCAQ-XRODADMRSA-N
SMILES	CC(=O)N1[C@H]2[C@](C[C@H]3N2C(=O)C4=CC=CC=C4NC3=O)(C5=CC=CC=C51)C(C)(C)C=C
Stereochemistry	fully defined
Cross-references	pubchem:102032591

Filing pathway

Unclassified — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is nrps, from MIBiG.

Producer organisms 1

A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.

Taxon	Basis	Cluster	Evidence
Aspergillus fischeri NRRL 181 NCBITaxon:331117	SOURCE_ASSERTION	mibig:BGC0000293	DOI:10.3389/fphar.2022.1006062

Occurrences 2

Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.

Taxon	Source	Reference
Aspergillus fischeri NCBITaxon:36630	LOTUS	DOI:10.1074/JBC.M807606200
Aspergillus carneus NCBITaxon:41282	LOTUS	DOI:10.1039/B302306K

Biosynthetic gene clusters 1

Accession	Host	Locus evidence	Genome
mibig:BGC0000293	Aspergillus fischeri NRRL 181 NCBITaxon:331117	CLUSTER_UNSTATED	genbank:DS027698.1

A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.

Mechanism & Biosynthesis Overview

Causal graph — biosynthesis 4 nodes, 3 edges

AnaPS, AnaPT and AnaAT canonical references associated with acetylaszonalenin biosynthesis. Canonical reference proteins, not independently inspected assay constructs. Biosynthetic participation for the named compound is a database assertion, not a direct single-enzyme reaction, ordered pathway, stoichiometry, substrate specificity, physical interaction or complex. GROUNDED denotes identifier identity, not independent experimental validation. The existing minted owner and all source-owned claims remain unchanged. The current owner is the neutral acetylaszonalenin representation. UniProt reaction cross-references include CHEBI:192682, whose cached label and SMILES describe a zwitterion. Owner SMILES/InChI and cached ChEBI SMILES/InChI share Standard InChIKey TXNJQKDZOVFCAQ-XRODADMRSA-N, formula C25H25N3O3 and net charge zero under RDKit 2026.03.5, but the ChEBI SMILES has O- and N+ atoms whereas the owner SMILES has no charged atoms. Standard InChI also normalizes tautomers. This supports named-compound correspondence, not identical microstates or an exact Rhea output. CHEBI:192682 is not adopted as the owner identifier or an exact structure xref. Cached ontology values were inspected on 2026-10-10, not freshly downloaded.

Subject	Predicate	Object	Notes	Evidence
anaPS (canonical reference)	is_database_supported_biosynthetic_participant_for	acetylaszonalenin	Canonical reference proteins, not independently inspected assay constructs. Biosynthetic participation for the named compound is a database assertion, not a direct single-enzyme reaction, ordered pathway, stoichiometry, substrate specificity, physical interaction or complex. GROUNDED denotes identifier identity, not independent experimental validation. The existing minted owner and all source-owned claims remain unchanged. UniProt includes an A-T-C-A-T-C domain description using an NRPS12 label and attributes module-1 anthranilate activation/loading to PMID:20225828. Neither that description nor a canonical sequence proves an independently inspected complete-enzyme reaction. DOI:10.1074/jbc.M807606200 and PMID:20225828 were unavailable through the inspected routes; primary methods, figures, supplements and constructs were not reviewed. The separate DOI:10.1038/nchembio.1047 repository PDF was also inaccessible.	https://www.uniprot.org/uniprotkb/A1DN09 https://www.ebi.ac.uk/ena/browser/view/DS027698.1 https://www.ebi.ac.uk/chebi/CHEBI:192682 reference https://www.uniprot.org/uniprotkb/A1DN09 evidence type DATABASE_ASSERTION retrieved on 2026-10-10 notes Swiss-Prot entry 106, sequence 1, 2359 residues; protein existence 1 (protein-level evidence). Gene anaPS, locus NFIA_055290, Aspergillus fischeri NRRL 181 (also named Neosartorya fischeri), taxon 331117. Its FUNCTION comment explicitly names participation in acetylaszonalenin biosynthesis and cites PMID:19001367; this is adopted as a database assertion only. The linked Rhea reactions are not adopted as exact owner reactions. UniProt includes an A-T-C-A-T-C domain description using an NRPS12 label and attributes module-1 anthranilate activation/loading to PMID:20225828. Neither that description nor a canonical sequence proves an independently inspected complete-enzyme reaction. DOI:10.1074/jbc.M807606200 and PMID:20225828 were unavailable through the inspected routes; primary methods, figures, supplements and constructs were not reviewed. The separate DOI:10.1038/nchembio.1047 repository PDF was also inaccessible. snippet part of the gene cluster that mediates the biosynthesis of the prenylated pyrroloindoline diketopiperazine acetylaszonalenin reference https://www.ebi.ac.uk/ena/browser/view/DS027698.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-10 notes Complete native CDS complement(join(2428387..2435016,2435069..2435518)), 7080 nucleotides, ATG start, TAG stop, codon_start 1, standard code 1; translation equals deposited EAW16180.1 and all 2359 canonical A1DN09 residues. Source strain NRRL 181 and taxon 331117 are explicit. EMBL scaffold annotations and matching FASTA both span 4032438 bases; the FASTA matches the deposited scaffold MD5. Biopython applied the annotated strand and splice joins. CDS bounds are complete despite partial UTR bounds on surrounding gene/mRNA features. EVM-predicted native models and sequence equality are not evidence of assay tags, mutations, processing or exact experimental stock. The current MIBiG page was unavailable; the imported version 3 producer/locus assertions are unchanged, not upgraded. reference https://www.ebi.ac.uk/chebi/CHEBI:192682 evidence type CURATOR_INFERENCE retrieved on 2026-10-10 notes The current owner is the neutral acetylaszonalenin representation. UniProt reaction cross-references include CHEBI:192682, whose cached label and SMILES describe a zwitterion. Owner SMILES/InChI and cached ChEBI SMILES/InChI share Standard InChIKey TXNJQKDZOVFCAQ-XRODADMRSA-N, formula C25H25N3O3 and net charge zero under RDKit 2026.03.5, but the ChEBI SMILES has O- and N+ atoms whereas the owner SMILES has no charged atoms. Standard InChI also normalizes tautomers. This supports named-compound correspondence, not identical microstates or an exact Rhea output. CHEBI:192682 is not adopted as the owner identifier or an exact structure xref. Cached ontology values were inspected on 2026-10-10, not freshly downloaded.
anaPT (canonical reference)	is_database_supported_biosynthetic_participant_for	acetylaszonalenin	Canonical reference proteins, not independently inspected assay constructs. Biosynthetic participation for the named compound is a database assertion, not a direct single-enzyme reaction, ordered pathway, stoichiometry, substrate specificity, physical interaction or complex. GROUNDED denotes identifier identity, not independent experimental validation. The existing minted owner and all source-owned claims remain unchanged. UniProt binding-site annotations include similarity transfers, and its substrate annotations span several substrates. No binding residue, substrate specificity or stereochemical reaction is adopted here. PDB:4LD7 is an uninspected structural lead, not a verified construct. DOI:10.1074/jbc.M807606200 and DOI:10.1039/b922440h were unavailable through the inspected routes; no primary methods or assay constructs were reviewed.	https://www.uniprot.org/uniprotkb/A1DN10 https://www.ebi.ac.uk/ena/browser/view/DS027698.1 https://www.ebi.ac.uk/chebi/CHEBI:192682 reference https://www.uniprot.org/uniprotkb/A1DN10 evidence type DATABASE_ASSERTION retrieved on 2026-10-10 notes Swiss-Prot entry 83, sequence 1, 437 residues; protein existence 1 (protein-level evidence). Gene anaPT, locus NFIA_055300, Aspergillus fischeri NRRL 181 (also named Neosartorya fischeri), taxon 331117. Its FUNCTION comment explicitly names participation in acetylaszonalenin biosynthesis and cites PMID:19001367; this is adopted as a database assertion only. The linked Rhea reactions are not adopted as exact owner reactions. UniProt binding-site annotations include similarity transfers, and its substrate annotations span several substrates. No binding residue, substrate specificity or stereochemical reaction is adopted here. PDB:4LD7 is an uninspected structural lead, not a verified construct. DOI:10.1074/jbc.M807606200 and DOI:10.1039/b922440h were unavailable through the inspected routes; no primary methods or assay constructs were reviewed. snippet part of the gene cluster that mediates the biosynthesis of the prenylated pyrroloindoline diketopiperazine acetylaszonalenin reference https://www.ebi.ac.uk/ena/browser/view/DS027698.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-10 notes Complete native CDS join(2437444..2438630,2438682..2438808), 1314 nucleotides, ATG start, TAG stop, codon_start 1, standard code 1; translation equals deposited EAW16181.1 and all 437 canonical A1DN10 residues. Source strain NRRL 181 and taxon 331117 are explicit. EMBL scaffold annotations and matching FASTA both span 4032438 bases; the FASTA matches the deposited scaffold MD5. Biopython applied the annotated strand and splice joins. CDS bounds are complete despite partial UTR bounds on surrounding gene/mRNA features. EVM-predicted native models and sequence equality are not evidence of assay tags, mutations, processing or exact experimental stock. The current MIBiG page was unavailable; the imported version 3 producer/locus assertions are unchanged, not upgraded. reference https://www.ebi.ac.uk/chebi/CHEBI:192682 evidence type CURATOR_INFERENCE retrieved on 2026-10-10 notes The current owner is the neutral acetylaszonalenin representation. UniProt reaction cross-references include CHEBI:192682, whose cached label and SMILES describe a zwitterion. Owner SMILES/InChI and cached ChEBI SMILES/InChI share Standard InChIKey TXNJQKDZOVFCAQ-XRODADMRSA-N, formula C25H25N3O3 and net charge zero under RDKit 2026.03.5, but the ChEBI SMILES has O- and N+ atoms whereas the owner SMILES has no charged atoms. Standard InChI also normalizes tautomers. This supports named-compound correspondence, not identical microstates or an exact Rhea output. CHEBI:192682 is not adopted as the owner identifier or an exact structure xref. Cached ontology values were inspected on 2026-10-10, not freshly downloaded.
anaAT (canonical reference)	is_database_supported_biosynthetic_participant_for	acetylaszonalenin	Canonical reference proteins, not independently inspected assay constructs. Biosynthetic participation for the named compound is a database assertion, not a direct single-enzyme reaction, ordered pathway, stoichiometry, substrate specificity, physical interaction or complex. GROUNDED denotes identifier identity, not independent experimental validation. The existing minted owner and all source-owned claims remain unchanged. UniProt names an O-acetyltransferase but its FUNCTION text describes N1 acetylation. That naming conflict is retained, not resolved by adopting a reaction. Its monomer annotation is by similarity to Q4WZ64, not independent oligomeric-state evidence. DOI:10.1074/jbc.M807606200 and DOI:10.1039/b922440h were unavailable through the inspected routes; no primary methods or assay constructs were reviewed.	https://www.uniprot.org/uniprotkb/A1DN11 https://www.ebi.ac.uk/ena/browser/view/DS027698.1 https://www.ebi.ac.uk/chebi/CHEBI:192682 reference https://www.uniprot.org/uniprotkb/A1DN11 evidence type DATABASE_ASSERTION retrieved on 2026-10-10 notes Swiss-Prot entry 86, sequence 1, 509 residues; protein existence 1 (protein-level evidence). Gene anaAT, locus NFIA_055310, Aspergillus fischeri NRRL 181 (also named Neosartorya fischeri), taxon 331117. Its FUNCTION comment explicitly names participation in acetylaszonalenin biosynthesis and cites PMID:19001367; this is adopted as a database assertion only. The linked Rhea reactions are not adopted as exact owner reactions. UniProt names an O-acetyltransferase but its FUNCTION text describes N1 acetylation. That naming conflict is retained, not resolved by adopting a reaction. Its monomer annotation is by similarity to Q4WZ64, not independent oligomeric-state evidence. DOI:10.1074/jbc.M807606200 and DOI:10.1039/b922440h were unavailable through the inspected routes; no primary methods or assay constructs were reviewed. snippet part of the gene cluster that mediates the biosynthesis of the prenylated pyrroloindoline diketopiperazine acetylaszonalenin reference https://www.ebi.ac.uk/ena/browser/view/DS027698.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-10 notes Complete native CDS 2439622..2441151, 1530 nucleotides, ATG start, TGA stop, codon_start 1, standard code 1; translation equals deposited EAW16182.1 and all 509 canonical A1DN11 residues. Source strain NRRL 181 and taxon 331117 are explicit. EMBL scaffold annotations and matching FASTA both span 4032438 bases; the FASTA matches the deposited scaffold MD5. Biopython applied the annotated strand and splice joins. CDS bounds are complete despite partial UTR bounds on surrounding gene/mRNA features. EVM-predicted native models and sequence equality are not evidence of assay tags, mutations, processing or exact experimental stock. The current MIBiG page was unavailable; the imported version 3 producer/locus assertions are unchanged, not upgraded. reference https://www.ebi.ac.uk/chebi/CHEBI:192682 evidence type CURATOR_INFERENCE retrieved on 2026-10-10 notes The current owner is the neutral acetylaszonalenin representation. UniProt reaction cross-references include CHEBI:192682, whose cached label and SMILES describe a zwitterion. Owner SMILES/InChI and cached ChEBI SMILES/InChI share Standard InChIKey TXNJQKDZOVFCAQ-XRODADMRSA-N, formula C25H25N3O3 and net charge zero under RDKit 2026.03.5, but the ChEBI SMILES has O- and N+ atoms whereas the owner SMILES has no charged atoms. Standard InChI also normalizes tautomers. This supports named-compound correspondence, not identical microstates or an exact Rhea output. CHEBI:192682 is not adopted as the owner identifier or an exact structure xref. Cached ontology values were inspected on 2026-10-10, not freshly downloaded.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Explore across X-Mech

AntibioticMech (acetylaszonalenin) ↗ MediaIngredientMech (naturalproductmech:mibig-fd260f24d4) ↗ TaxonMech: Aspergillus fischeri NRRL 181 (NCBITaxon:331117) ↗ PathwayMech (mibig:BGC0000293) ↗

Provenance

Source concept	Source	Version
BGC0000293	MIBIG	3

This page is generated from data/natural_products/unclassified/acetylaszonalenin.yaml, which is generated from the committed inventories. Neither is edited by hand.