MiMeDB: Showing metabocard for Î±-alectoronic acid (MMDBc0016620)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 07:13:48 UTC

Update Date

2022-08-12 20:00:12 UTC

Metabolite ID

MMDBc0016620

Metabolite Identification

Common Name

Î±-alectoronic acid

Description

6,14-dihydroxy-10-oxo-4,12-bis(2-oxoheptyl)-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylic acid belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). 6,14-dihydroxy-10-oxo-4,12-bis(2-oxoheptyl)-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
6,14-Dihydroxy-10-oxo-4,12-bis(2-oxoheptyl)-2,9-dioxatricyclo[9.4.0.0,]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylate	Generator
Alpha-Alectoronic acid	ChEMBL
a-Alectoronate	Generator
a-Alectoronic acid	Generator
alpha-Alectoronate	Generator
α-alectoronate	Generator
α-alectoronic acid	Generator
6,14-Dihydroxy-10-oxo-4,12-bis(2-oxoheptyl)-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylate	Generator
a-Alectronate	Generator
a-Alectronic acid	Generator
alpha-Alectronate	Generator
Α-alectronate	Generator
Α-alectronic acid	Generator

Molecular Formula

C₂₈H₃₂O₉

Average Mass

512.555

Monoisotopic Mass

512.20463261

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C28H32O9/c1-3-5-7-9-17(29)11-16-12-19(31)14-22-24(16)28(35)37-23-15-21(32)25(27(33)34)20(26(23)36-22)13-18(30)10-8-6-4-2/h12,14-15,31-32H,3-11,13H2,1-2H3,(H,33,34)

InChI Key

ZDIOCINAHISORH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Depsides and depsidones

Sub Class

Not Available

Direct Parent

Depsides and depsidones

Alternative Parents

Substituents

Depsidone
Diaryl ether
Hydroxybenzoic acid
Salicylic acid or derivatives
1-hydroxy-2-unsubstituted benzenoid
1,4-dioxepine
Dioxepine
Phenol
Benzenoid
Vinylogous acid
Carboxylic acid ester
Ketone
Lactone
Organoheterocyclic compound
Ether
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	2		Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15558610

PDB ID

Not Available

ChEBI ID

144109

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Showing metabocard for Î±-alectoronic acid (MMDBc0016620)

MOL for #<Metabolite:0x00007f8af17561a0>

3D MOL for #<Metabolite:0x00007f8af17561a0>

3D SDF for #<Metabolite:0x00007f8af17561a0>

3D-SDF for #<Metabolite:0x00007f8af17561a0>

PDB for #<Metabolite:0x00007f8af17561a0>

3D PDB for #<Metabolite:0x00007f8af17561a0>

SMILES for #<Metabolite:0x00007f8af17561a0>

INCHI for #<Metabolite:0x00007f8af17561a0>

Structure for #<Metabolite:0x00007f8af17561a0>

3D Structure for #<Metabolite:0x00007f8af17561a0>