Showing metabocard for 3-(Methylsulfanyl)Propanal (MMDBc0033489)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:50:47 UTC
Update Date2022-08-31 22:36:25 UTC
MiMeDB IDMMDBc0033489
Metabolite Identification
Common Name3-(Methylsulfanyl)Propanal
Description3-(Methylthio)propanal, also known as 3-methylsulfanylpropanal or 4-thiapentanal, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. 3-(Methylthio)propanal is a beef, cooked potato, and creamy tasting compound. 3-(Methylthio)propanal has been detected, but not quantified in, several different foods, such as burdocks (Arctium lappa), epazotes (Dysphania ambrosioides), other cereal product, brassicas, and okras (Abelmoschus esculentus). This could make 3-(methylthio)propanal a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 3-(Methylthio)propanal.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76dedb5f0>

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3D MOL for #<Metabolite:0x000055b76dedb5f0>

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3D SDF for #<Metabolite:0x000055b76dedb5f0>

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3D-SDF for #<Metabolite:0x000055b76dedb5f0>

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PDB for #<Metabolite:0x000055b76dedb5f0>

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3D PDB for #<Metabolite:0x000055b76dedb5f0>

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SMILES for #<Metabolite:0x000055b76dedb5f0>

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INCHI for #<Metabolite:0x000055b76dedb5f0>

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Synonyms
ValueSource
3-(Methylmercapto)propionaldehydeChEBI
3-(Methylthio)propionaldehydeChEBI
3-MethylsulfanylpropanalChEBI
4-ThiapentanalChEBI
beta-(Methylmercapto)propionaldehydeChEBI
beta-(Methylthio)propionaldehydeChEBI
MethionalChEBI
3-MethylsulphanylpropanalGenerator
b-(Methylmercapto)propionaldehydeGenerator
Β-(methylmercapto)propionaldehydeGenerator
b-(Methylthio)propionaldehydeGenerator
Β-(methylthio)propionaldehydeGenerator
3-(Methylsulfanyl)propanalHMDB
3-(methylthio)-1-PropanalHMDB
3-(methylthio)-PropanalHMDB
3-(methylthio)-PropionaldehydeHMDB
3-(methylthio)Propanal (methional)HMDB
3-(methylthio)Propionaldehyde (methional)HMDB
3-(methylthio)Propionaldehyde, 8ciHMDB
3-(Methylthiol)propanalHMDB
3-(methythio)-PropanalHMDB
3-methylmercapto-PropionaldehydeHMDB
3-Methylmercaptopropyl aldehydeHMDB
3-Methylsulfanyl-propanalHMDB
3-Methylsulfanyl-propionaldehydeHMDB
3-methylthio-PropionaldehydeHMDB
3-MethylthiopropanalHMDB
3-MethylthiopropionalHMDB
3-[methylthio]PropionaldehydeHMDB
beta -(methylmercapto)PropionaldehydeHMDB
beta -(methylthio)PropionaldehydeHMDB
C4H8OSHMDB
FEMA 2747HMDB
MethylmercaptoaldehydeHMDB
MethylmercaptopropionaldehydeHMDB, MeSH
Methylmercaptopropionic aldehydeHMDB
MMPHMDB
3-(Methylthio)propanalChEBI
Chemical FormulaC4H8OS
Average Molecular Weight104.171
Monoisotopic Molecular Weight104.029585568
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number3268-49-3
SMILESNot Available
InChI Identifier
InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChI KeyCLUWOWRTHNNBBU-UHFFFAOYSA-N