alanylclavam

naturalproductmech:mibig-23fd94d01a 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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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	KCAIYJDHLVYANU-VPLCAKHXSA-N
SMILES	C1[C@H]2N(C1=O)C[C@@H](O2)C[C@@H](C(=O)O)N
Stereochemistry	fully defined
Cross-references	pubchem:194618

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 other, from MIBiG.

Producer organisms 2

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 clavuligerus ATCC 27064 NCBITaxon:1901	BGC_CHARACTERIZED	mibig:BGC0000841	PMID:10681345
Streptomyces clavuligerus ATCC 27064 NCBITaxon:1901	BGC_CHARACTERIZED	mibig:BGC0000843	PMID:22435762

Occurrences 7

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 clavuligerus NCBITaxon:1901	LOTUS	DOI:10.1002/ECE3.4924
Streptomyces clavuligerus NCBITaxon:1901	LOTUS	DOI:10.1016/S0378-1119(98)00106-1
Streptomyces clavuligerus NCBITaxon:1901	LOTUS	DOI:10.1128/AAC.01090-12
Streptomyces clavuligerus NCBITaxon:1901	LOTUS	DOI:10.1128/AAC.44.3.720-726.2000
Streptomyces clavuligerus NCBITaxon:1901	LOTUS	DOI:10.1139/W2012-012
Streptomyces clavuligerus NCBITaxon:1901	LOTUS	DOI:10.7164/ANTIBIOTICS.36.208
Streptomyces clavuligerus NCBITaxon:1901	LOTUS	DOI:10.7164/ANTIBIOTICS.36.217

Biosynthetic gene clusters 2

Accession	Host	Locus evidence	Genome
mibig:BGC0000841	Streptomyces clavuligerus ATCC 27064 NCBITaxon:1901	CLUSTER_DEMONSTRATED	genbank:CM000914.1
mibig:BGC0000843	Streptomyces clavuligerus ATCC 27064 NCBITaxon:1901	CLUSTER_DEMONSTRATED	genbank:CM000913.1

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	CAS1 UniProtKB:E2PWJ7		ungrounded → ungrounded	DOI:10.1128/AAC.43.5.1215

Step 1: This curates the Streptomyces clavuligerus ATCC 27064 BGC0000843/CM000913.1 cas1 clavaminate synthase 1 contribution to the CAS-derived clavaminic-acid pool that feeds alanylclavam biosynthesis. CAS2 can partially complement CAS1, so this entry does not assert that CAS1 is singly required or that the exact downstream route from clavaminic acid to alanylclavam is known.

Mechanism & Biosynthesis Overview

Causal graph — biosynthesis 3 nodes, 2 edges

Partial Streptomyces clavuligerus BGC0000843 alanylclavam biosynthesis graph for CAS1 contribution to the common clavaminic-acid pool.

Subject	Predicate	Object	Notes	Evidence
CAS1	contributes to	CAS-derived clavaminic-acid pool	The edge is limited to CAS1 and CAS2 contribution to a shared clavaminic-acid pool and does not assert a specific alanylclavam phenotype for single cas1 disruption.	DOI:10.1128/AAC.43.5.1215 https://www.uniprot.org/uniprotkb/E2PWJ7 https://www.ncbi.nlm.nih.gov/protein/EFG07996.1 reference DOI:10.1128/AAC.43.5.1215 evidence type PRIMARY_EXPERIMENT snippet CAS1 and CAS2 contribute to a common pool of clavaminic acid notes Mosher et al. concluded from the cas1 single-mutant and cas1/cas2 double-mutant phenotypes that both CAS isoenzymes contribute to a shared intracellular clavaminic-acid pool. reference https://www.uniprot.org/uniprotkb/E2PWJ7 evidence type DATABASE_ASSERTION retrieved on 2026-09-27 notes Unreviewed UniProtKB:E2PWJ7 is the Streptomyces clavuligerus SCLAV_2925/cas1 324 aa clavaminate synthase 1 and cross-references EMBL CM000913 protein EFG07996.1. reference https://www.ncbi.nlm.nih.gov/protein/EFG07996.1 evidence type DATABASE_ASSERTION retrieved on 2026-09-27 notes NCBI GenPept EFG07996.1 is the CM000913.1 BGC0000843 Streptomyces clavuligerus ATCC 27064 cas1 clavaminate synthase 1 CDS and matches UniProtKB:E2PWJ7.
CAS-derived clavaminic-acid pool	contributes to	alanylclavam	Clavaminic acid is supported as a shared branch-point precursor to clavam metabolites; the exact clavaminic-acid-to-alanylclavam transformations remain tentative.	DOI:10.1128/AAC.43.5.1215 reference DOI:10.1128/AAC.43.5.1215 evidence type PRIMARY_EXPERIMENT snippet serves as a precursor for the biosynthesis of all clavams produced by S. clavuligerus notes Mosher et al. linked the shared clavaminic-acid pool to S. clavuligerus clavam biosynthesis; this curates only that common precursor relationship upstream of the alanylclavam branch.

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

Explore across X-Mech

AntibioticMech (alanylclavam) ↗ MediaIngredientMech (naturalproductmech:mibig-23fd94d01a) ↗ TaxonMech: Streptomyces clavuligerus ATCC 27064 (NCBITaxon:1901) ↗ TaxonMech: Streptomyces clavuligerus ATCC 27064 (NCBITaxon:1901) ↗ PathwayMech (mibig:BGC0000841) ↗ PathwayMech (mibig:BGC0000843) ↗

Open questions 1

shared-structure — This structure is reported by more than one MIBiG entry: BGC0000841, BGC0000843. Confirm they describe the same compound rather than an upstream cross-reference error.

Provenance

Source concept	Source	Version
BGC0000841	MIBIG	5
BGC0000843	MIBIG	5

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