coelichelin

CHEBI:80049 EXACT SEEDED

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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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.

A tetrapeptide hydroxamate siderophore that is isolated from Streptomyces coelicolor.

Structure

Standard InChIKey	ZPJLQAOTGYKOBJ-OVYGPGRDSA-N
SMILES	C[C@@H](O)[C@@H](NC(=O)[C@H](N)CCCN(O)C=O)C(=O)N(O)CCC[C@H](NC(=O)[C@H](N)CCCN(O)C=O)C(O)=O
Stereochemistry	fully defined
Cross-references	npatlas:NPA09051, pubchem:3247071

Filing pathway

Amino acids and peptides — 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
Streptomyces coelicolor A3(2) NCBITaxon:100226	SOURCE_ASSERTION	mibig:BGC0000325	PMID:12000953

Occurrences 16

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
Streptomyces albidoflavus NCBITaxon:1886	LOTUS	DOI:10.1007/S10295-013-1383-2
Streptomyces albidoflavus NCBITaxon:1886	LOTUS	DOI:10.1016/B978-0-12-404634-4.00014-0
Streptomyces albidoflavus NCBITaxon:1886	LOTUS	DOI:10.1038/417141A
Streptomyces albidoflavus NCBITaxon:1886	LOTUS	DOI:10.1038/NCHEMBIO731
Streptomyces albidoflavus NCBITaxon:1886	LOTUS	DOI:10.1099/MIC.0.2006/003145-0
Streptomyces albidoflavus NCBITaxon:1886	LOTUS	DOI:10.1111/J.1574-6968.2006.00362.X
Streptomyces ambofaciens NCBITaxon:1889	LOTUS	DOI:10.1371/JOURNAL.PONE.0087607
Streptomyces coelicolor NCBITaxon:1902	LOTUS	DOI:10.1007/S10295-013-1383-2
Streptomyces coelicolor NCBITaxon:1902	LOTUS	DOI:10.1016/B978-0-12-404634-4.00014-0
Streptomyces coelicolor NCBITaxon:1902	LOTUS	DOI:10.1038/417141A
Streptomyces coelicolor NCBITaxon:1902	LOTUS	DOI:10.1038/NCHEMBIO731
Streptomyces coelicolor NCBITaxon:1902	LOTUS	DOI:10.1099/MIC.0.2006/003145-0
Streptomyces coelicolor NCBITaxon:1902	LOTUS	DOI:10.1111/J.1574-6968.2006.00362.X
Streptomyces nodosus NCBITaxon:40318	LOTUS	DOI:10.1007/S00253-015-7060-9
Streptomyces spectabilis NCBITaxon:68270	LOTUS	DOI:10.1007/S10295-019-02172-8
Streptomyces coelicolor A3(2) NCBITaxon:100226	CHEBI	PMID:21342472

Biosynthetic gene clusters 1

Accession	Host	Locus evidence	Genome
mibig:BGC0000325	Streptomyces coelicolor A3(2) NCBITaxon:100226	CLUSTER_UNSTATED	genbank:AL645882.2

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 2 nodes, 1 edge

SCO0492 reference: database-proposed participation in coelichelin biosynthesis. Deliberately selected canonical reference, not an independently inspected assay construct. MIBiG version5 explicitly assigns its three coelichelin NRPS modules to CAB53322.1; each adenylation-domain substrate annotation is Structure-based inference. This graph adopts only proposed process participation, not those exact substrates, module order, iteration, module skipping, product release, measured stereoselectivity or a complete catalytic mechanism. MIBiG quality is questionable, completeness unknown, and locus evidence is empty. No producer/BGC, taxonomy, origin or experimental upgrade.

Subject	Predicate	Object	Notes	Evidence
Peptide synthetase SCO0492 (reference sequence)	is_database_proposed_biosynthetic_participant_for	coelichelin	Deliberately selected canonical reference, not an independently inspected assay construct. MIBiG version5 explicitly assigns its three coelichelin NRPS modules to CAB53322.1; each adenylation-domain substrate annotation is Structure-based inference. This graph adopts only proposed process participation, not those exact substrates, module order, iteration, module skipping, product release, measured stereoselectivity or a complete catalytic mechanism. MIBiG quality is questionable, completeness unknown, and locus evidence is empty. No producer/BGC, taxonomy, origin or experimental upgrade. Primary DOI10.1038/nchembio731 was available only as a subscription preview; DOI10.1039/B801016A returned an abstract-only landing page. Neither primary experiment, figure, supplement nor construct was independently inspected. No CchA/B/J/K or CchH alias transfer is made from conflicting secondary locus labels.	https://mibig.secondarymetabolites.org/repository/BGC0000325.5/index.html https://www.uniprot.org/uniprotkb/Q9RK14 https://www.ebi.ac.uk/ena/browser/view/AL939105.1 https://www.ebi.ac.uk/chebi/CHEBI:80049 reference https://mibig.secondarymetabolites.org/repository/BGC0000325.5/index.html evidence type DATABASE_ASSERTION retrieved on 2026-10-10 notes BGC0000325 version5 is active and lists exactly one compound, coelichelin, with the same stereochemical SMILES as this owner. biosynthesis.modules Unk01/Unk02/Unk03 all name CAB53322.1. Their active fields are null, domain coordinates are -1/-1, and substrate support is structure-based inference, not an enzyme assay. The rendered entry maps CAB53322.1 to SCO0492. The antiSMASH region prediction is not used as functional evidence. Deliberately selected canonical reference, not an independently inspected assay construct. MIBiG version5 explicitly assigns its three coelichelin NRPS modules to CAB53322.1; each adenylation-domain substrate annotation is Structure-based inference. This graph adopts only proposed process participation, not those exact substrates, module order, iteration, module skipping, product release, measured stereoselectivity or a complete catalytic mechanism. MIBiG quality is questionable, completeness unknown, and locus evidence is empty. No producer/BGC, taxonomy, origin or experimental upgrade. snippet Structure-based inference reference https://www.uniprot.org/uniprotkb/Q9RK14 evidence type DATABASE_ASSERTION retrieved on 2026-10-10 notes Unreviewed TrEMBL entry150, sequence1, 3643aa, protein existence4: Predicted; taxon100226, Streptomyces coelicolor A3(2)/M145 reference. SCO0492/SCF34.11c maps to CAB53322.1 on AL645882 and AL939105. UniProt has no FUNCTION, PATHWAY or CATALYTIC ACTIVITY comment for this entry; it is used for identity, not an independent coelichelin functional assertion. Predicted carrier/PTM annotations are not experimentally verified processing or activity. reference https://www.ebi.ac.uk/ena/browser/view/AL939105.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-10 notes Complete reverse-strand CDS AL939105.1:214989..225920, 10932nt including TGA stop, ATG start, bacterial translation table11, codon_start1. Independent translation equals deposited CAB53322.1 and all3643 canonical Q9RK14 residues. The MIBiG-derived GenBank segment has the identical CDS and translation at complement(20001..30932); its original-start offset493988 maps to AL645882.2:513989..524920. The assembly joins AL939105.1:51..291000 after 299050bp, independently confirming offset299000. ENA source is species taxon1902 with explicit strain A3(2); it is not a native taxon100226 qualifier. Sequence equality establishes reference identity, not identity of a historical assay stock or construct. RefSeq WP_011027156.1/NC_003888.3 remains uninspected. reference https://www.ebi.ac.uk/chebi/CHEBI:80049 evidence type CURATOR_INFERENCE retrieved on 2026-10-10 notes Existing local OAK ChEBI cache inspected2026-10-10, not a fresh ChEBI download. Pinned RDKit2026.03.5 maps owner SMILES, owner InChI, MIBiG version5 compound SMILES and cached ChEBI SMILES to ZPJLQAOTGYKOBJ-OVYGPGRDSA-N, formula C21H39N7O11, with no unspecified tetrahedral centers. This is the uncomplexed compound, not its ferric or gallium complex. Chemical equality is not an assay or an experimental stereochemical determination of the selected protein product.

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

Explore across X-Mech

AntibioticMech (coelichelin) ↗ MediaIngredientMech (CHEBI:80049) ↗ TaxonMech: Streptomyces coelicolor A3(2) (NCBITaxon:100226) ↗ PathwayMech (mibig:BGC0000325) ↗

Provenance

Source concept	Source	Version
BGC0000325	MIBIG	5
CHEBI:80049	CHEBI	3-star

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