MiMeDB: Showing metabocard for Arthrofactin (MMDBc0001005)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-14 18:40:54 UTC

Update Date

2022-08-12 19:56:22 UTC

Metabolite ID

MMDBc0001005

Metabolite Identification

Common Name

Arthrofactin

Description

Arthrofactin belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Based on a literature review a significant number of articles have been published on Arthrofactin.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-[6,9-Bis(butan-2-yl)-3-(carboxymethyl)-37-heptyl-5,8,11,14,17,20,23,26,29,32,35-undecahydroxy-27-(1-hydroxyethyl)-12,18-bis(hydroxymethyl)-15,21,24,33-tetrakis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazacycloheptatriaconta-4,7,10,13,16,19,22,25,28,31,34-undecaen-30-yl]acetate	Generator

Molecular Formula

C₆₄H₁₁₁N₁₁O₂₀

Average Mass

1354.649

Monoisotopic Mass

1353.800685018

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C64H111N11O20/c1-15-18-19-20-21-22-39-27-48(79)65-40(23-32(4)5)54(84)68-44(28-49(80)81)58(88)75-53(38(14)78)63(93)69-43(26-35(10)11)55(85)66-41(24-33(6)7)56(86)71-46(30-76)59(89)67-42(25-34(8)9)57(87)72-47(31-77)60(90)73-52(37(13)17-3)62(92)74-51(36(12)16-2)61(91)70-45(29-50(82)83)64(94)95-39/h32-47,51-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,89)(H,68,84)(H,69,93)(H,70,91)(H,71,86)(H,72,87)(H,73,90)(H,74,92)(H,75,88)(H,80,81)(H,82,83)

InChI Key

HXMCERBOSXQYRH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Depsipeptides

Direct Parent

Cyclic depsipeptides

Alternative Parents

Substituents

Cyclic depsipeptide
Alpha-amino acid ester
Macrolactam
Macrolide
Alpha-amino acid or derivatives
Tricarboxylic acid or derivatives
Cyclic carboximidic acid
Carboxylic acid ester
Lactone
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Azacycle
Polyol
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Primary alcohol
Alcohol
Organopnictogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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
Bacteria	Actinobacteria	1		Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	9	Human feces; Human sputum; Human urine; Human supragingival plaque; Human ; Human saliva; Human mucosa	Microbial culture
Bacteria	Proteobacteria	2	Human feces; Human sputum; Human urine; Human supragingival plaque; Human ; Human saliva; Human mucosa	Microbial culture

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

16388789

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

17922875

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Showing metabocard for Arthrofactin (MMDBc0001005)

MOL for #<Metabolite:0x00007f2dfddadb80>

3D MOL for #<Metabolite:0x00007f2dfddadb80>

3D SDF for #<Metabolite:0x00007f2dfddadb80>

3D-SDF for #<Metabolite:0x00007f2dfddadb80>

PDB for #<Metabolite:0x00007f2dfddadb80>

3D PDB for #<Metabolite:0x00007f2dfddadb80>

SMILES for #<Metabolite:0x00007f2dfddadb80>

INCHI for #<Metabolite:0x00007f2dfddadb80>

Structure for #<Metabolite:0x00007f2dfddadb80>

3D Structure for #<Metabolite:0x00007f2dfddadb80>