MiMeDB: Showing metabocard for Ethyl 2-hexenoate (MMDBc0033413)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:47:33 UTC

Update Date

2022-08-31 22:35:54 UTC

MiMeDB ID

MMDBc0033413

Metabolite Identification

Common Name

Ethyl 2-hexenoate

Description

Ethyl 2-hexenoate is a volatile ethyl ester found in wine and produced during fermentation by yeast. Ethyl esters are formed by the reaction of ethanol with a fatty acid. They typically have pleasant sweet aromas. The concentrations of ethyl ester decrease over time as a wine ages due to spontaneous hydrolysis.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₄O₂

Average Molecular Weight

142.198

Monoisotopic Molecular Weight

142.099379691

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

1552-67-6

SMILES

Not Available

InChI Identifier

InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3

InChI Key

SJRXWMQZUAOMRJ-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

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

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Fungi	Ascomycota	1	Human Feces	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

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

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Tsakiris A, Koutinas AA, Psarianos C, Kourkoutas Y, Bekatorou A: A new process for wine production by penetration of yeast in uncrushed frozen grapes. Appl Biochem Biotechnol. 2010 Oct;162(4):1109-21. doi: 10.1007/s12010-009-8881-8. Epub 2010 Feb 12. [PubMed:20151225 ]

Showing metabocard for Ethyl 2-hexenoate (MMDBc0033413)

MOL for #<Metabolite:0x000055b76de732c0>

3D MOL for #<Metabolite:0x000055b76de732c0>

3D SDF for #<Metabolite:0x000055b76de732c0>

3D-SDF for #<Metabolite:0x000055b76de732c0>

PDB for #<Metabolite:0x000055b76de732c0>

3D PDB for #<Metabolite:0x000055b76de732c0>

SMILES for #<Metabolite:0x000055b76de732c0>

INCHI for #<Metabolite:0x000055b76de732c0>

Structure for #<Metabolite:0x000055b76de732c0>

3D Structure for #<Metabolite:0x000055b76de732c0>