oxepinamide D

naturalproductmech:mibig-d43cae12e4 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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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	LTIOSJQYEGEEHY-BLVKFPJESA-N
SMILES	C[C@@H]1C(=O)N[C@@](C2=NC3=C(C=CC=CO3)C(=O)N12)(CC4=CC=CC=C4)O
Stereochemistry	fully defined
Cross-references	npatlas:NPA008926

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 ustus NCBITaxon:40382	SOURCE_ASSERTION	mibig:BGC0002242	PMID:33656898

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 puniceus NCBITaxon:41744	LOTUS	DOI:10.1002/EJOC.201000812
Aspergillus puniceus NCBITaxon:41744	LOTUS	DOI:10.1021/ACS.JNATPROD.9B00055

Biosynthetic gene clusters 1

Accession	Host	Locus evidence	Genome
mibig:BGC0002242	Aspergillus ustus NCBITaxon:40382	CLUSTER_UNSTATED	genbank:JOMC01000058.1

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.

Biosynthesis curated

Written by a curator with claim-level evidence on each step; not derived from a source. This is what the rest of the record exists to support.

Step	Enzyme	Reaction	Substrate → product	Evidence
1	OpaC2 native reference from A. ustus 3.3904 UniProtKB:A0A0C1BVY7		ungrounded → naturalproductmech:mibig-d43cae12e4	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000310.json

Step 1: MITE0000310-reported C-3 hydroxylation of the 1H-oxepin substrate to oxepinamide D (naturalproductmech:mibig-d43cae12e4) by Aspergillus ustus 3.3904 OpaC2 (UniProtKB:A0A0C1BVY7, KIA75686.1, HK57_00501 on JOMC01000058.1, BGC0002242). Synchronizes biosynthetic_pathway with the existing MITE-backed causal_graph without upgrading producer or locus evidence grades.

Mechanism & Biosynthesis Overview

Causal graph — biosynthesis 4 nodes, 3 edges

MITE-asserted OpaC2 hydroxylation yielding the exact oxepinamide D structure. Native genomic identity is checked; functional attribution comes from MITE, not a UniProt FUNCTION annotation or personally inspected primary experiments. This is the oxepinamide D cluster reference, not the distinct OpaC of the oxepinamide F cluster. No producer/BGC grade or occurrence claim is changed; not full-record sign-off.

Subject	Predicate	Object	Notes	Evidence
OpaC2 native reference from A. ustus 3.3904	is_database_reported_catalyst_of	MITE-reported C-3 hydroxylation	MITE supplies the compound-specific hydroxylation assertion. The native accession is not replaced by the different 462-residue OpaC reference A0A0C1BV72 from the oxepinamide F cluster. No catalytic rate, active-site residue, redox state, physical complex or inspected mutant experiment is claimed.	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000310.json https://www.uniprot.org/uniprotkb/A0A0C1BVY7 https://www.ncbi.nlm.nih.gov/protein/KIA75686.1 https://www.ncbi.nlm.nih.gov/nuccore/JOMC01000058.1 reference https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000310.json evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes MITE0000310 version 1, active, at the pinned commit. The example assigns OpaC2 hydroxylation of a 1H-oxepin substrate to yield oxepinamide D. Its heterologous-expression, in-vitro and knockout evidence codes are not independently inspected experimental data; the cited primary paper was inaccessible. No assay condition, mutant phenotype or experimental construct is adopted. snippet stereospecific hydroxylation at the C-3 position reference https://www.uniprot.org/uniprotkb/A0A0C1BVY7 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Unreviewed TrEMBL entry 29, sequence 1; 459 residues, HK57_00501, taxon 40382. It has no FUNCTION annotation and lists protein existence as inferred from homology. This entry supports sequence identity only; MITE supplies the OpaC2 name and specific hydroxylation attribution. reference https://www.ncbi.nlm.nih.gov/protein/KIA75686.1 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Full conceptual translation and independent coded_by inspected; HK57_00501/AUSM36_001, A. ustus strain 3.3904. reference https://www.ncbi.nlm.nih.gov/nuccore/JOMC01000058.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-07 notes Complete 1380-nt, five-exon, plus-strand CDS/table 1: join(12055..12220,12271..12857,12919..13262,13312..13538,13598..13653). Full translation equals independent GenPept KIA75686.1 and UniProt A0A0C1BVY7, 459 residues. This verifies a native genomic reference, not a historical transcript, experimental construct or assay stock.
MITE-reported 1H-oxepin substrate	is_database_reported_substrate_of	MITE-reported C-3 hydroxylation	The node denotes the 1H-oxepin substrate encoded in the pinned MITE reaction example. No external compound identifier or additional upstream biosynthetic step is assigned.	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000310.json reference https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000310.json evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes MITE0000310 version 1, active, at the pinned commit. The example assigns OpaC2 hydroxylation of a 1H-oxepin substrate to yield oxepinamide D. Its heterologous-expression, in-vitro and knockout evidence codes are not independently inspected experimental data; the cited primary paper was inaccessible. No assay condition, mutant phenotype or experimental construct is adopted.
MITE-reported C-3 hydroxylation	has_database_reported_product	Oxepinamide D, exact owner structure	The pinned MITE example product matches the owner's full Standard InChIKey LTIOSJQYEGEEHY-BLVKFPJESA-N and defined stereochemistry using the repository structure helper and RDKit 2026.03.5. The example's isIntermediate flag is not used to prove pathway finality. SOURCE_ASSERTION producer and CLUSTER_UNSTATED BGC grades stay unchanged; the separate A. puniceus occurrences are not promoted to production.	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000310.json reference https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000310.json evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes MITE0000310 version 1, active, at the pinned commit. The example assigns OpaC2 hydroxylation of a 1H-oxepin substrate to yield oxepinamide D. Its heterologous-expression, in-vitro and knockout evidence codes are not independently inspected experimental data; the cited primary paper was inaccessible. No assay condition, mutant phenotype or experimental construct is adopted.

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

Explore across X-Mech

AntibioticMech (oxepinamide D) ↗ MediaIngredientMech (naturalproductmech:mibig-d43cae12e4) ↗ TaxonMech: Aspergillus ustus (NCBITaxon:40382) ↗ PathwayMech (mibig:BGC0002242) ↗

Provenance

Source concept	Source	Version
BGC0002242	MIBIG	2

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