MiMeDB: Showing metabocard for Fusapyrone (MMDBc0010196)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:27:11 UTC

Update Date

2022-08-12 19:58:41 UTC

Metabolite ID

MMDBc0010196

Metabolite Identification

Common Name

Fusapyrone

Description

Fusapyrone belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Based on a literature review a small amount of articles have been published on Fusapyrone.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3-(4-Deoxy-beta-xylohexapyranosyl)-4-hydroxy-6-(2-hydroxy-7-hydroxymethyl-1,1,5,9,11-pentamethyl-3,5,8-heptadecatrienyl)-2H-pyran-2-one	MeSH

Molecular Formula

C₃₄H₅₄O₉

Average Mass

606.797

Monoisotopic Mass

606.376783319

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-40H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21?,24?,25-,27-,28?,31+,32-/m1/s1

InChI Key

HEECQDWUNPZALD-PQKWJCQSSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Sesquiterpenoid
Farsesane sesquiterpenoid
Long chain fatty alcohol
C-glycosyl compound
Glycosyl compound
Fatty alcohol
Pyranone
Fatty acyl
Pyran
Monosaccharide
Oxane
Vinylogous acid
Heteroaromatic compound
Lactone
Secondary alcohol
Organoheterocyclic compound
Dialkyl ether
Ether
Oxacycle
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Primary alcohol
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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
Eukaryota/Fungi	Ascomycota	2	Human sputum; Human feces	Metabolic reconstruction; 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

22842365

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

54710122

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Showing metabocard for Fusapyrone (MMDBc0010196)

MOL for #<Metabolite:0x00007fc950752cb0>

3D MOL for #<Metabolite:0x00007fc950752cb0>

3D SDF for #<Metabolite:0x00007fc950752cb0>

3D-SDF for #<Metabolite:0x00007fc950752cb0>

PDB for #<Metabolite:0x00007fc950752cb0>

3D PDB for #<Metabolite:0x00007fc950752cb0>

SMILES for #<Metabolite:0x00007fc950752cb0>

INCHI for #<Metabolite:0x00007fc950752cb0>

Structure for #<Metabolite:0x00007fc950752cb0>

3D Structure for #<Metabolite:0x00007fc950752cb0>