MiMeDB: Showing metabocard for 5-methyl-2-thiophenecarboxaldehyde (MMDBc0033472)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:50:05 UTC

Update Date

2022-08-31 22:36:18 UTC

MiMeDB ID

MMDBc0033472

Metabolite Identification

Common Name

5-methyl-2-thiophenecarboxaldehyde

Description

5-Methyl-2-thiophenecarboxaldehyde, also known as 2-formyl-5-methylthiophene or 5-methyl-2-carboxaldehyde-thiophene, belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. 5-Methyl-2-thiophenecarboxaldehyde is a sweet, acetophenone, and almond tasting compound.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₆OS

Average Molecular Weight

126.176

Monoisotopic Molecular Weight

126.013935504

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

13679-70-4

SMILES

Not Available

InChI Identifier

InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3

InChI Key

VAUMDUIUEPIGHM-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

Mahadevan K, Farmer L: Key odor impact compounds in three yeast extract pastes. J Agric Food Chem. 2006 Sep 20;54(19):7242-50. doi: 10.1021/jf061102x. [PubMed:16968089 ]
EAFUS: Everything Added to Food in the United States. [Link]

Showing metabocard for 5-methyl-2-thiophenecarboxaldehyde (MMDBc0033472)

MOL for #<Metabolite:0x000055b76dfa05a8>

3D MOL for #<Metabolite:0x000055b76dfa05a8>

3D SDF for #<Metabolite:0x000055b76dfa05a8>

3D-SDF for #<Metabolite:0x000055b76dfa05a8>

PDB for #<Metabolite:0x000055b76dfa05a8>

3D PDB for #<Metabolite:0x000055b76dfa05a8>

SMILES for #<Metabolite:0x000055b76dfa05a8>

INCHI for #<Metabolite:0x000055b76dfa05a8>

Structure for #<Metabolite:0x000055b76dfa05a8>

3D Structure for #<Metabolite:0x000055b76dfa05a8>