ectoine

naturalproductmech:mibig-a51c74b16d REVIEW_NEEDED SEEDED

Grounding review: This structure matches more than one 3-star ChEBI entry: CHEBI:27592, CHEBI:58515. ChEBI keeps such entries separate on purpose — a compound and its zwitterion share an InChIKey — so the identity is not picked here. A curator decides which term this record is.

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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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	WQXNXVUDBPYKBA-YFKPBYRVSA-N
SMILES	CC1=NCC[C@H](N1)C(=O)O
Stereochemistry	fully defined
Cross-references	pubchem:126041, npatlas:NPA024861

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 10

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
Sporosarcina pasteurii NCBITaxon:1474	SOURCE_ASSERTION	mibig:BGC0000852	PMID:11823218
Streptomyces anulatus NCBITaxon:1892	SOURCE_ASSERTION	mibig:BGC0000853	PMID:15128576
Methylomicrobium alcaliphilum 20Z NCBITaxon:1091494	SOURCE_ASSERTION	mibig:BGC0000854	PMID:16283251
Methylomicrobium kenyense NCBITaxon:269709	SOURCE_ASSERTION	mibig:BGC0000855	DOI:10.1007/s00792-011-0396-x
Methylophaga thalassica NCBITaxon:40223	SOURCE_ASSERTION	mibig:BGC0000856	DOI:10.1007/s00792-011-0396-x
Methylophaga alcalica NCBITaxon:182774	SOURCE_ASSERTION	mibig:BGC0000857	PMID:19897647
Methylobacter marinus NCBITaxon:34058	SOURCE_ASSERTION	mibig:BGC0000858	DOI:10.1007/s00792-011-0396-x
Methylomicrobium alcaliphilum NCBITaxon:271065	SOURCE_ASSERTION	mibig:BGC0000859	DOI:10.1007/s00792-011-0396-x
Methylarcula marina NCBITaxon:72022	SOURCE_ASSERTION	mibig:BGC0000860	DOI:10.1007/s00792-011-0396-x
Streptomyces sp. NCBITaxon:1931	SOURCE_ASSERTION	mibig:BGC0002052	PMID:33712632

Occurrences 15

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
Ectothiorhodospira NCBITaxon:1051	LOTUS	DOI:10.1111/J.1432-1033.1985.TB08903.X
Halorhodospira halochloris NCBITaxon:1052	LOTUS	DOI:10.1111/J.1432-1033.1985.TB08903.X
Streptomyces NCBITaxon:1883	LOTUS	DOI:10.1038/S41598-021-84833-2
Phaseolus vulgaris NCBITaxon:3885	LOTUS	DOI:10.3390/IJMS19041049
Phaseolus vulgaris NCBITaxon:3885	LOTUS	DOI:10.3390/METABO4030599
Streptomyces nodosus NCBITaxon:40318	LOTUS	DOI:10.1007/S00253-015-7060-9
Streptomyces collinus NCBITaxon:42684	LOTUS	DOI:10.1007/S10295-015-1685-7
Streptomyces lydicus NCBITaxon:47763	LOTUS	DOI:10.1038/SREP44786
Streptomyces spectabilis NCBITaxon:68270	LOTUS	DOI:10.1007/S10295-019-02172-8
Methylomicrobium kenyense NCBITaxon:269709	LOTUS	DOI:10.1007/S00792-011-0396-X
Methylomicrobium alcaliphilum NCBITaxon:271065	LOTUS	DOI:10.1007/S00203-005-0042-Z
Methylomicrobium alcaliphilum NCBITaxon:271065	LOTUS	DOI:10.1007/S00792-011-0396-X
Methylobacter marinus NCBITaxon:34058	LOTUS	DOI:10.1007/S00792-011-0396-X
Methylophaga thalassica NCBITaxon:40223	LOTUS	DOI:10.1007/S00792-011-0396-X
Methylarcula marina NCBITaxon:72022	LOTUS	DOI:10.1007/S00792-011-0396-X

Biosynthetic gene clusters 10

Accession	Host	Locus evidence	Genome
mibig:BGC0000852	Sporosarcina pasteurii NCBITaxon:1474	CLUSTER_UNSTATED	genbank:AF316874.1
mibig:BGC0000853	Streptomyces anulatus NCBITaxon:1892	CLUSTER_UNSTATED	genbank:AY524544.1
mibig:BGC0000854	Methylomicrobium alcaliphilum 20Z NCBITaxon:1091494	CLUSTER_UNSTATED	genbank:DQ016501.2
mibig:BGC0000855	Methylomicrobium kenyense NCBITaxon:269709	CLUSTER_UNSTATED	genbank:DQ238213.1
mibig:BGC0000856	Methylophaga thalassica NCBITaxon:40223	CLUSTER_UNSTATED	genbank:EU315062.1
mibig:BGC0000857	Methylophaga alcalica NCBITaxon:182774	CLUSTER_UNSTATED	genbank:EU315063.1
mibig:BGC0000858	Methylobacter marinus NCBITaxon:34058	CLUSTER_UNSTATED	genbank:EU523734.1
mibig:BGC0000859	Methylomicrobium alcaliphilum NCBITaxon:271065	CLUSTER_UNSTATED	genbank:EU523735.1
mibig:BGC0000860	Methylarcula marina NCBITaxon:72022	CLUSTER_UNSTATED	genbank:GU249592.1
mibig:BGC0002052	Streptomyces sp. NCBITaxon:1931	CLUSTER_UNSTATED	genbank:MT149902.1

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	ThpC ectoine synthase UniProtKB:Q6QUY8	RHEA:17281	CHEBI:58929 → CHEBI:58515	DOI:10.1128/AEM.70.5.3130-3132.2004

Step 1: BGC0000853 thpC encodes the exact Streptomyces anulatus/Streptomyces chrysomallus protein Q6QUY8; its EctC assignment and RHEA:17281 ring-closure reaction are inferred from the ectoine_synt domain and UniProt family annotation rather than a direct ThpC enzyme assay.

Mechanism & Biosynthesis Overview

Causal graph — biosynthesis 3 nodes, 2 edges

Proposed Streptomyces anulatus/"S. chrysomallus" ThpC-catalyzed terminal ring closure from N-gamma-acetyl-L-2,4-diaminobutanoate to L-ectoine.

Subject	Predicate	Object	Notes	Evidence
(2S)-4-acetamido-2-aminobutanoate	is cyclized by	ThpC	The exact BGC0000853 ThpC protein is grounded to UniProtKB:Q6QUY8, while the catalytic assignment is inferred from antiSMASH and UniProt family annotation.	DOI:10.1128/AEM.70.5.3130-3132.2004 https://mibig.secondarymetabolites.org/repository/BGC0000853.3/ https://www.uniprot.org/uniprotkb/Q6QUY8 reference DOI:10.1128/AEM.70.5.3130-3132.2004 evidence type PRIMARY_EXPERIMENT snippet The nucleotide sequence of the thp genes from S. chrysomallus (ATCC 11523) has been deposited notes Prabhu et al. mapped the Streptomyces chrysomallus ectoine/hydroxyectoine thp locus and deposited GenBank AY524544; the same entry is imported by MIBiG BGC0000853 as Streptomyces anulatus. reference https://mibig.secondarymetabolites.org/repository/BGC0000853.3/ evidence type DATABASE_ASSERTION retrieved on 2026-10-01 notes MIBiG entry version 3 links BGC0000853 to ectoine biosynthesis from GenBank AY524544; the antiSMASH GenBank export annotates the AY524544 protein AAS02096.1 as thpC, ectoine cyclase. reference https://www.uniprot.org/uniprotkb/Q6QUY8 evidence type DATABASE_ASSERTION retrieved on 2026-10-01 notes Reviewed UniProtKB:Q6QUY8 is the Streptomyces anulatus (Streptomyces chrysomallus) ectC/thpC gene product cross-referenced to EMBL AY524544 protein AAS02096.1; UniProt annotates the RHEA:17281 ectoine synthase activity by homology.
ThpC	forms	L-ectoine	RHEA:17281 forms the CHEBI:58515 zwitterion; this record keeps a minted identifier because ChEBI:27592 and CHEBI:58515 intentionally share an InChIKey.	DOI:10.1128/AEM.70.5.3130-3132.2004 https://mibig.secondarymetabolites.org/repository/BGC0000853.3/ https://www.uniprot.org/uniprotkb/Q6QUY8 reference DOI:10.1128/AEM.70.5.3130-3132.2004 evidence type PRIMARY_EXPERIMENT snippet The nucleotide sequence of the thp genes from S. chrysomallus (ATCC 11523) has been deposited notes Prabhu et al. mapped the Streptomyces chrysomallus ectoine/hydroxyectoine thp locus and deposited GenBank AY524544; the same entry is imported by MIBiG BGC0000853 as Streptomyces anulatus. reference https://mibig.secondarymetabolites.org/repository/BGC0000853.3/ evidence type DATABASE_ASSERTION retrieved on 2026-10-01 notes MIBiG entry version 3 links BGC0000853 to ectoine biosynthesis from GenBank AY524544; the antiSMASH GenBank export annotates the AY524544 protein AAS02096.1 as thpC, ectoine cyclase. reference https://www.uniprot.org/uniprotkb/Q6QUY8 evidence type DATABASE_ASSERTION retrieved on 2026-10-01 notes Reviewed UniProtKB:Q6QUY8 is the Streptomyces anulatus (Streptomyces chrysomallus) ectC/thpC gene product cross-referenced to EMBL AY524544 protein AAS02096.1; UniProt annotates the RHEA:17281 ectoine synthase activity by homology.

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

Causal graph — biosynthesis 7 nodes, 6 edges

Separate proposed upstream ectoine context for native-reference ThpB and ThpA. Reviewed UniProt function and pathway annotations infer transamination then acetylation by homology. This is not a direct individual-protein assay or reconstitution. The existing ThpC terminal graph and partial pathway list remain unchanged; no cross-graph local edge, physical assembly, full-pathway sufficiency or exact owner microspecies identity is inferred.

Subject	Predicate	Object	Notes	Evidence
ThpB native reference, homology-assigned function	is_database_proposed_catalyst_of	Database-proposed ThpB transamination	Function is ECO0000250, not an independently inspected ThpB experiment. UniProt PLP annotation is by similarity and Lys271 modification is ECO0000255; no native occupancy, catalytic-site measurement or complex is adopted.	https://www.uniprot.org/uniprotkb/Q6QUY9 https://www.ncbi.nlm.nih.gov/protein/AAS02095.1 https://www.ncbi.nlm.nih.gov/nuccore/AY524544.1 reference https://www.uniprot.org/uniprotkb/Q6QUY9 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Reviewed entry78/sequence1; FUNCTION ECO0000250 and protein existence3 are inferred from homology. PATHWAY explicitly assigns ectoine biosynthesis step1/3; no native individual enzyme assay is established. PMID15128576 is the sole bibliography reference and is tagged for genomic sequence, not this protein's experimental function. The paper's ThpD expression result is not transferred here. Reaction CURIEs denote reactions, not protein identity. snippet Catalyzes reversively the conversion of L-aspartate beta-semialdehyde reference https://www.ncbi.nlm.nih.gov/protein/AAS02095.1 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Independent complete420-aa native AAS02095.1, genethpB; coded_by AY524544.1:698..1960, plus-strand/table11. Source S.anulatus/taxon1892, no strain qualifier. A conceptual translation, not an independent protein-level assay. reference https://www.ncbi.nlm.nih.gov/nuccore/AY524544.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-07 notes Full1263-nt CDS698..1960+, codon1/table11, matches annotation, independent GenPept and reviewed Q6QUY9, all420aa; exact coded_by DNA/coordinates agree. Native source gives no strain; ATCC11523/DSM40128/JCM4296/LMG20459/NBRC15393 are UniProt bibliographic aliases, not independently sequenced historical stock. The complete3366-bp locus is not a whole genome. UniParcUPI000023B703 is an unqueried crosslink, not independent archive proof.
L-aspartate semialdehyde, database precursor	is_database_proposed_substrate_of	Database-proposed ThpB transamination	Biosynthetic direction follows UniProt FUNCTION and PATHWAY step1/3. RHEA11160's stored equation is written in the reverse direction, and FUNCTION explicitly says reversible. No irreversible flux or assay conditions inferred; intermediate ionic form is not independently grounded.	https://www.uniprot.org/uniprotkb/Q6QUY9 reference https://www.uniprot.org/uniprotkb/Q6QUY9 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Reviewed entry78/sequence1; FUNCTION ECO0000250 and protein existence3 are inferred from homology. PATHWAY explicitly assigns ectoine biosynthesis step1/3; no native individual enzyme assay is established. PMID15128576 is the sole bibliography reference and is tagged for genomic sequence, not this protein's experimental function. The paper's ThpD expression result is not transferred here. Reaction CURIEs denote reactions, not protein identity.
Database-proposed ThpB transamination	has_database_proposed_product	L-2,4-diaminobutyrate, database intermediate	Database-proposed DABA formation with L-glutamate as amino donor. This is not a complete stoichiometric model, measured flux, exact native substrate assay or new ectoine producer claim.	https://www.uniprot.org/uniprotkb/Q6QUY9 reference https://www.uniprot.org/uniprotkb/Q6QUY9 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Reviewed entry78/sequence1; FUNCTION ECO0000250 and protein existence3 are inferred from homology. PATHWAY explicitly assigns ectoine biosynthesis step1/3; no native individual enzyme assay is established. PMID15128576 is the sole bibliography reference and is tagged for genomic sequence, not this protein's experimental function. The paper's ThpD expression result is not transferred here. Reaction CURIEs denote reactions, not protein identity.
ThpA native reference, homology-assigned function	is_database_proposed_catalyst_of	Database-proposed ThpA acetylation	FUNCTION ECO0000250 supports the proposed acetyltransferase assignment. Full native sequence correspondence grounds the reference only, not a historical construct, primary individual-enzyme assay or physical ThpA/ThpB assembly.	https://www.uniprot.org/uniprotkb/Q6QUZ0 https://www.ncbi.nlm.nih.gov/protein/AAS02094.1 https://www.ncbi.nlm.nih.gov/nuccore/AY524544.1 reference https://www.uniprot.org/uniprotkb/Q6QUZ0 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Reviewed entry63/sequence1; FUNCTION ECO0000250 and protein existence3 are inferred from homology. PATHWAY explicitly assigns ectoine biosynthesis step2/3; no native individual enzyme assay is established. PMID15128576 is the sole bibliography reference and is tagged for genomic sequence, not this protein's experimental function. The paper's ThpD expression result is not transferred here. Reaction CURIEs denote reactions, not protein identity. snippet Catalyzes the acetylation of L-2,4-diaminobutyrate (DABA) reference https://www.ncbi.nlm.nih.gov/protein/AAS02094.1 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Independent complete176-aa native AAS02094.1, genethpA; coded_by AY524544.1:9..539, plus-strand/table11. Source S.anulatus/taxon1892, no strain qualifier. A conceptual translation, not an independent protein-level assay. reference https://www.ncbi.nlm.nih.gov/nuccore/AY524544.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-07 notes Full531-nt CDS9..539+, codon1/table11, matches annotation, independent GenPept and reviewed Q6QUZ0, all176aa; exact coded_by DNA/coordinates agree. Native source gives no strain; ATCC11523/DSM40128/JCM4296/LMG20459/NBRC15393 are UniProt bibliographic aliases, not independently sequenced historical stock. The complete3366-bp locus is not a whole genome. UniParcUPI000023B702 is an unqueried crosslink, not independent archive proof.
L-2,4-diaminobutyrate, database intermediate	is_database_proposed_substrate_of	Database-proposed ThpA acetylation	UniProt FUNCTION names DABA and acetyl-CoA; PATHWAY says step2/3. This order is a database assertion, not inferred from thpA/thpB genomic positions. No exact experimental substrate or ionic-form identity adopted.	https://www.uniprot.org/uniprotkb/Q6QUZ0 reference https://www.uniprot.org/uniprotkb/Q6QUZ0 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Reviewed entry63/sequence1; FUNCTION ECO0000250 and protein existence3 are inferred from homology. PATHWAY explicitly assigns ectoine biosynthesis step2/3; no native individual enzyme assay is established. PMID15128576 is the sole bibliography reference and is tagged for genomic sequence, not this protein's experimental function. The paper's ThpD expression result is not transferred here. Reaction CURIEs denote reactions, not protein identity.
Database-proposed ThpA acetylation	has_database_proposed_product	N-gamma-acetyl-L-2,4-diaminobutyrate, database intermediate	Database ADABA intermediate, not ectoine or a final product. RHEA16901 is reaction provenance only; no independently verified chemical CURIE is assigned here. The existing ThpC substrate/product graph and terminal-step list are preserved without renumbering or owner-grounding changes.	https://www.uniprot.org/uniprotkb/Q6QUZ0 reference https://www.uniprot.org/uniprotkb/Q6QUZ0 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Reviewed entry63/sequence1; FUNCTION ECO0000250 and protein existence3 are inferred from homology. PATHWAY explicitly assigns ectoine biosynthesis step2/3; no native individual enzyme assay is established. PMID15128576 is the sole bibliography reference and is tagged for genomic sequence, not this protein's experimental function. The paper's ThpD expression result is not transferred here. Reaction CURIEs denote reactions, not protein identity.

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

Causal graph — biosynthesis 5 nodes, 4 edges

ThpD expression shifts the measured ectoine/hydroxyectoine balance in a heterologous host. This is an expression phenotype, not purified-enzyme kinetics. Native reference identity and chemical-form limits remain separate from causal evidence. Previously inspected extracted main text, table and captions; no successful visual figure inspection. A later figure access challenge stopped further retrieval. No new paper access, supplementary verification or raw PDF checksum claimed.

Subject	Predicate	Object	Notes	Evidence
ThpD native reference	was_expressed_in_context	Heterologous ThpD expression	The paper links the donor gene to AY524544; mapping identifies the deposited reference, not the exact historical construct.	DOI:10.1128/AEM.70.5.3130-3132.2004 https://www.uniprot.org/uniprotkb/Q6QUY7 https://www.ncbi.nlm.nih.gov/protein/AAS02097.1 https://www.ncbi.nlm.nih.gov/nuccore/AY524544.1 reference DOI:10.1128/AEM.70.5.3130-3132.2004 evidence type PRIMARY_EXPERIMENT retrieved on 2026-10-07 snippet thpD gene of S. chrysomallus was actively expressed notes Previously inspected extracted main text, table and captions; no successful visual figure inspection. A later figure access challenge stopped further retrieval. No new paper access, supplementary verification or raw PDF checksum claimed. reference https://www.uniprot.org/uniprotkb/Q6QUY7 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Reviewed entry64/sequence1,297aa, ectD/thpD, S.anulatus (S.chrysomallus)/tax1892. Direct EMBL AY524544/AAS02097.1 crosslink and bibliography ATCC11523 aliases support reference correspondence. Protein existence is inferred from homology. FUNCTION cites PMID15128576; reaction/Rhea45740 is by homology toQ93RV9, Fe/subunit annotations toQ2TDY4, and sites toQ1GNW5/Q2TDY4. These are not transferred as measured properties. reference https://www.ncbi.nlm.nih.gov/protein/AAS02097.1 evidence type DATABASE_ASSERTION retrieved on 2026-10-07 notes Complete independent297-aa ThpD, gene thpD, S.anulatus/tax1892; coded_by AY524544.1:2452..3345, table11. No strain qualifier in the protein source. UniParcUPI000023B705 is an unqueried UniProt crosslink, not an independently inspected archive or UniProtKB accession. reference https://www.ncbi.nlm.nih.gov/nuccore/AY524544.1 evidence type CURATOR_INFERENCE retrieved on 2026-10-07 notes Complete3366-bp source read. Full894-nt plus-strand thpD CDS2452..3345, codon1/table11, translates exactly to annotation, independent GenPept and current UniProt, all297aa. Independent coded_by DNA/coordinates match. Source gives species1892 but no strain; no invented strain qualifier, historical-stock identity or experimental functional characterization of the other thp genes.
Halomonas elongata AD-98, experimental host	was_host_for	Heterologous ThpD expression	AD-98 is the experimental host. The article's DSM304/DSM3043 inconsistency is not silently resolved; no native host protein is substituted.	DOI:10.1128/AEM.70.5.3130-3132.2004 reference DOI:10.1128/AEM.70.5.3130-3132.2004 evidence type PRIMARY_EXPERIMENT retrieved on 2026-10-07 notes Previously inspected extracted main text, table and captions; no successful visual figure inspection. A later figure access challenge stopped further retrieval. No new paper access, supplementary verification or raw PDF checksum claimed.
Heterologous ThpD expression	increased_relative_hplc_fraction_of	Hydroxyectoine, unresolved chemical form	Relative HPLC fractions versus vector control; no absolute necessity, pathway finality or new native-producer claim. The product remains ungrounded.	DOI:10.1128/AEM.70.5.3130-3132.2004 reference DOI:10.1128/AEM.70.5.3130-3132.2004 evidence type PRIMARY_EXPERIMENT retrieved on 2026-10-07 notes Previously inspected extracted main text, table and captions; no successful visual figure inspection. A later figure access challenge stopped further retrieval. No new paper access, supplementary verification or raw PDF checksum claimed.
Heterologous ThpD expression	decreased_relative_hplc_fraction_of	Ectoine, source-named pool with unresolved protonation	No exact microspecies identifier is selected for the assay-named pool. The owner's neutral/zwitterionic ambiguity stays REVIEW_NEEDED; no pH/speciation conclusion.	DOI:10.1128/AEM.70.5.3130-3132.2004 reference DOI:10.1128/AEM.70.5.3130-3132.2004 evidence type PRIMARY_EXPERIMENT retrieved on 2026-10-07 notes Previously inspected extracted main text, table and captions; no successful visual figure inspection. A later figure access challenge stopped further retrieval. No new paper access, supplementary verification or raw PDF checksum claimed.

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

Bioactivities 2

Entries preserve source qualifiers, targets and evidence. Repeated assay names or values are not independent replications; inspect source detail for differences.

Assay	Result	Target enzyme	Source detail
In vitro CYP3A4 Inhibition Assay from US Patent US9144538: "Cosmetic compositions containing substituted azole and methods for alleviating the signs of photoaged skin"	IC50 10 uM; INACTIVE	UniProtKB:P08684	pubchem.aid:1801670 assay In vitro CYP3A4 Inhibition Assay from US Patent US9144538: "Cosmetic compositions containing substituted azole and methods for alleviating the signs of photoaged skin" evidence reference pubchem.aid:1801670 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1801670, deposited by BindingDB; assay type Confirmatory. call INACTIVE measurement type IC50 value 10.0 units uM target enzyme UniProtKB:P08684
null from US Patent US9138393: "Cosmetic compositions containing substituted azole and methods for improving the appearance of aging skin"	IC50 10 uM; INACTIVE	UniProtKB:P08684	pubchem.aid:1801654 assay null from US Patent US9138393: "Cosmetic compositions containing substituted azole and methods for improving the appearance of aging skin" evidence reference pubchem.aid:1801654 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1801654, deposited by BindingDB; assay type Confirmatory. call INACTIVE measurement type IC50 value 10.0 units uM target enzyme UniProtKB:P08684

Elsewhere in the fleet

PathwayMech — MetaCyc:P101-PWY (biosynthesized by, same terminal product inchikey: chebi:58515 in the pinned chebi inventory; pathway taxon ncbitaxon:2746. product identity only; no assertion that this record's other producer taxa use this pathway.)

Explore across X-Mech

AntibioticMech (ectoine) ↗ MediaIngredientMech (naturalproductmech:mibig-a51c74b16d) ↗ TaxonMech: Sporosarcina pasteurii (NCBITaxon:1474) ↗ TaxonMech: Streptomyces anulatus (NCBITaxon:1892) ↗ TaxonMech: Methylomicrobium alcaliphilum 20Z (NCBITaxon:1091494) ↗ TaxonMech: Methylomicrobium kenyense (NCBITaxon:269709) ↗ PathwayMech (mibig:BGC0000852) ↗ PathwayMech (mibig:BGC0000853) ↗ PathwayMech (mibig:BGC0000854) ↗

Open questions 1

shared-structure — This structure is reported by more than one MIBiG entry: BGC0000852, BGC0000853, BGC0000854, BGC0000855, BGC0000856, BGC0000857, BGC0000858, BGC0000859, BGC0000860, BGC0002052. Confirm they describe the same compound rather than an upstream cross-reference error.

Provenance

Source concept	Source	Version
BGC0000852	MIBIG	5
BGC0000853	MIBIG	3
BGC0000854	MIBIG	3
BGC0000855	MIBIG	3
BGC0000856	MIBIG	3
BGC0000857	MIBIG	3
BGC0000858	MIBIG	3
BGC0000859	MIBIG	3
BGC0000860	MIBIG	3
BGC0002052	MIBIG	3
CHEBI:27592	CHEBI	3-star
CHEBI:58515	CHEBI	3-star

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