Colletorin D

naturalproductmech:mibig-2459be6395 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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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	ITDNZOGHXSEHSE-UHFFFAOYSA-N
SMILES	CC1=CC(=C(C(=C1C=O)O)CC=C(C)C)O
Stereochemistry	fully defined
Cross-references	pubchem:13701440, chembl:CHEMBL4519650, npatlas:NPA025034

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 pks, terpene, 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
Colletotrichum higginsianum IMI 349063 NCBITaxon:759273	BGC_CORRELATED	mibig:BGC0002812	DOI:10.1016/j.ymben.2023.10.002

Occurrences 1

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
Colletotrichum higginsianum NCBITaxon:80884	LOTUS	DOI:10.1021/ACS.JNATPROD.8B00796

Biosynthetic gene clusters 1

Accession	Host	Locus evidence	Genome
mibig:BGC0002812	Colletotrichum higginsianum IMI 349063 NCBITaxon:759273	CLUSTER_CORRELATED	genbank:LTAN01000004.1

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	CTC3 native IMI349063 reference UniProtKB:A0A1B7YD80		naturalproductmech:mibig-d1c3064ecf → naturalproductmech:mibig-2459be6395	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000464.json
2	CTC2 native IMI349063 reference UniProtKB:A0A1B7YCJ8		naturalproductmech:mibig-2459be6395 → naturalproductmech:mibig-81ab14f848	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000364.json

Step 1: MITE0000464-reported reduction of Colletorin D acid to Colletorin D by CTC3 (UniProtKB:A0A1B7YD80, OBR09778.1, CH63R_05470 on LTAN01000004.1). Synchronizes biosynthetic_pathway with the existing MITE-backed causal_graph without upgrading producer or locus evidence grades.

Step 2: MITE0000364-reported chlorination of Colletorin D to Colletochlorin D by CTC2 (UniProtKB:A0A1B7YCJ8, OBR09776.1, CH63R_05468 on LTAN01000004.1). 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 CTC3 Colletorin D acid reduction yielding the exact Colletorin D owner structure. Native IMI349063 identity is verified against complete genomic and independent protein records; UniProt supports identity, not an independent FUNCTION claim. Both chemical participants match existing exact structures. Producer/BGC grades and all source fields remain unchanged; not full-record sign-off.

Subject	Predicate	Object	Notes	Evidence
CTC3 native IMI349063 reference	is_database_reported_catalyst_of	MITE-reported Colletorin D acid reduction	MITE supplies the functional attribution; sequence records establish identity only. Genome/BGC correspondence does not upgrade BGC_CORRELATED producer or CLUSTER_CORRELATED locus evidence. No native cofactor state, predicted domain-site function, physiological complex, rate or knockout is asserted.	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000464.json https://www.uniprot.org/uniprotkb/A0A1B7YD80 https://www.ncbi.nlm.nih.gov/protein/OBR09778.1 https://www.ncbi.nlm.nih.gov/nuccore/LTAN01000004.1 reference https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000464.json evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes MITE0000464 version1, active, attributes Colletorin D acid reduction to CTC3, yielding Colletorin D. Its heterologous-expression code is not personally inspected experimental data; the cited primary paper was inaccessible. No construct, assay condition or measured activity is adopted. snippet Converts Colletorin D acid into Colletorin D reference https://www.uniprot.org/uniprotkb/A0A1B7YD80 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Unreviewed TrEMBL entry41, sequence1, 1078 residues, CH63R_05470, taxon759273. There is no FUNCTION annotation; protein existence is inferred from homology and the record flags WGS-derived preliminary sequence data. UniProt and GenPept retain the submission name Gluconate kinase; UniProt also assigns an adenylate-forming reductase family. Neither is an independent compound-specific assay. No gluconate kinase function or predicted Ser608 modification is adopted. reference https://www.ncbi.nlm.nih.gov/protein/OBR09778.1 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Full conceptual translation and independent coded_by inspected: CH63R_05470, Colletotrichum higginsianum strain IMI349063/taxon759273. Source collection metadata do not establish historical assay-stock identity. reference https://www.ncbi.nlm.nih.gov/nuccore/LTAN01000004.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-07 notes Complete3237-nt/three-exon negative-strand CDS, default table1: complement(join(400054..400461,400539..402986,403076..403456)). Full translation equals the annotation, independent OBR09778.1 and current UniProt1078aa; independent coded_by coordinates/DNA match. This proves a native genomic reference, not a historical transcript, expression construct or assay-stock sequence.
Colletorin D acid, exact linked structure	is_database_reported_substrate_of	MITE-reported Colletorin D acid reduction	Pinned MITE example substrate matches the linked owner's full Standard InChIKey and complete stereochemical status using the repository structure helper and RDKit2026.03.5. No additional precursor-generation step is inferred.	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000464.json reference https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000464.json evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes MITE0000464 version1, active, attributes Colletorin D acid reduction to CTC3, yielding Colletorin D. Its heterologous-expression code is not personally inspected experimental data; the cited primary paper was inaccessible. No construct, assay condition or measured activity is adopted.
MITE-reported Colletorin D acid reduction	has_database_reported_product	Colletorin D, exact owner structure	Pinned MITE example product matches the exact owner's full Standard InChIKey and complete stereochemical status using the repository helper and RDKit2026.03.5. The intermediate flag is not proof of pathway finality. No B-congener or additional downstream step is adopted; source fields, separate occurrences and all evidence grades are preserved.	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000464.json reference https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000464.json evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes MITE0000464 version1, active, attributes Colletorin D acid reduction to CTC3, yielding Colletorin D. Its heterologous-expression code is not personally inspected experimental data; the cited primary paper was inaccessible. No construct, assay condition or measured activity is adopted.

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

Causal graph — biosynthesis 4 nodes, 3 edges

Substrate-owner context for MITE-reported CTC2 Colletorin D chlorination. The owner is consumed; Colletochlorin D is a separate exact linked structure. This same database reaction is already represented on its product record, not an independently observed additional experiment. Native reference identity is verified, but UniProt provides no FUNCTION annotation and the primary paper was inaccessible. Existing graphs, source fields/grades and SEEDED status remain unchanged; no inter-graph order, full pathway or full-record sign-off.

Subject	Predicate	Object	Notes	Evidence
CTC2 native IMI349063 reference	is_database_reported_catalyst_of	MITE-reported Colletorin D chlorination	MITE supplies the functional attribution; sequence records establish identity only. Genome/BGC correspondence does not upgrade BGC_CORRELATED producer or CLUSTER_CORRELATED locus evidence. No native cofactor state, predicted domain-site function, physiological complex, rate or knockout is asserted.	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000364.json https://www.uniprot.org/uniprotkb/A0A1B7YCJ8 https://www.ncbi.nlm.nih.gov/protein/OBR09776.1 https://www.ncbi.nlm.nih.gov/nuccore/LTAN01000004.1 reference https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000364.json evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes MITE0000364 version1, active, attributes Colletorin D chlorination to CTC2, yielding Colletochlorin D. Its heterologous-expression code is not personally inspected experimental data; the cited primary paper was inaccessible. No construct, assay condition or measured activity is adopted. snippet Chlorination of Colletorin D reference https://www.uniprot.org/uniprotkb/A0A1B7YCJ8 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Unreviewed TrEMBL entry31, sequence1, 509 residues, CH63R_05468, taxon759273. There is no FUNCTION annotation; protein existence is inferred from homology and the record flags WGS-derived preliminary sequence data. The RadH-like submission name and flavin-halogenase family annotation are not a separately inspected compound assay. reference https://www.ncbi.nlm.nih.gov/protein/OBR09776.1 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Full conceptual translation and independent coded_by inspected: CH63R_05468, Colletotrichum higginsianum strain IMI349063/taxon759273. Source collection metadata do not establish historical assay-stock identity. reference https://www.ncbi.nlm.nih.gov/nuccore/LTAN01000004.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-07 notes Complete1530-nt/five-exon plus-strand CDS, default table1: join(389265..389395,389456..389538,389711..390136,390197..390736,390810..391159). Full translation equals the annotation, independent OBR09776.1 and current UniProt509aa; independent coded_by coordinates/DNA match. This proves a native genomic reference, not a historical transcript, expression construct or assay-stock sequence.
Colletorin D, exact owner substrate	is_database_reported_substrate_of	MITE-reported Colletorin D chlorination	Pinned MITE example substrate matches this owner's full InChI/key and complete stereochemical status using the repository helper and pinned RDKit2026.03.5. This record is the substrate, not the product. No precursor generation, additional organism, source-grade upgrade or cross-graph causal order inferred.	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000364.json reference https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000364.json evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes MITE0000364 version1, active, attributes Colletorin D chlorination to CTC2, yielding Colletochlorin D. Its heterologous-expression code is not personally inspected experimental data; the cited primary paper was inaccessible. No construct, assay condition or measured activity is adopted.
MITE-reported Colletorin D chlorination	has_database_reported_product	Colletochlorin D, exact linked product	Pinned MITE example product matches the separate linked record's full InChI/key and complete stereochemical status. The intermediate flag does not prove pathway finality. No B-congener, physiological complex, cofactor state or extra downstream step adopted. Existing product-owner graph is preserved byte-for-byte; this is another record context, not independent evidence.	https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000364.json reference https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000364.json evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes MITE0000364 version1, active, attributes Colletorin D chlorination to CTC2, yielding Colletochlorin D. Its heterologous-expression code is not personally inspected experimental data; the cited primary paper was inaccessible. No construct, assay condition or measured activity is adopted.

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

Explore across X-Mech

AntibioticMech (Colletorin D) ↗ MediaIngredientMech (naturalproductmech:mibig-2459be6395) ↗ TaxonMech: Colletotrichum higginsianum IMI 349063 (NCBITaxon:759273) ↗ PathwayMech (mibig:BGC0002812) ↗

Provenance

Source concept	Source	Version
BGC0002812	MIBIG	2

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