Exact Mass: 103.985

Exact Mass Matches: 103.985

Found 98 metabolites which its exact mass value is equals to given mass value 103.985, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Malonate

Malonic acid, disodium salt, 1-(14)C-labeled

C3H4O4 (104.011)


Malonic acid (IUPAC systematic name: propanedioic acid) is a dicarboxylic acid with structure CH2(COOH)2. The ionised form of malonic acid, as well as its esters and salts, are known as malonates. For example, diethyl malonate is malonic acids ethyl ester. The name originates from Latin malum, meaning apple. Malonic acid is the archetypal example of a competitive inhibitor: it acts against succinate dehydrogenase (complex II) in the respiratory electron transport chain.; Malonic acid (IUPAC systematic name: propanedioic acid) is a dicarboxylic acid with structure CH2(COOH)2. The ionised form of malonic acid, as well as its esters and salts, are known as malonates. For example, diethyl malonate is malonic acids ethyl ester. The name originates from the Greek word ????? (malon) meaning apple. Propanedioic acid is found in many foods, some of which are green bell pepper, red bell pepper, common beet, and sweet orange. Malonic acid (IUPAC systematic name: propanedioic acid) is a dicarboxylic acid with structure CH2(COOH)2. The ionised form of malonic acid, as well as its esters and salts, are known as malonates. For example, diethyl malonate is malonic acids ethyl ester. The name originates from Latin malum, meaning apple. Malonic acid is the archetypal example of a competitive inhibitor: it acts against succinate dehydrogenase (complex II) in the respiratory electron transport chain. Malonic acid is found to be associated with malonyl-CoA decarboxylase deficiency, which is an inborn error of metabolism. Malonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=141-82-2 (retrieved 2024-07-02) (CAS RN: 141-82-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Hydroxypyruvic acid

2-oxo-3-hydroxy-propanoic acid

C3H4O4 (104.011)


3-hydroxypyruvic acid, also known as beta-hydroxypyruvate or oh-pyr, belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. 3-hydroxypyruvic acid is soluble (in water) and a moderately acidic compound (based on its pKa). 3-hydroxypyruvic acid can be found in a number of food items such as fox grape, black mulberry, elliotts blueberry, and silver linden, which makes 3-hydroxypyruvic acid a potential biomarker for the consumption of these food products. 3-hydroxypyruvic acid can be found primarily in blood and urine. 3-hydroxypyruvic acid exists in all living organisms, ranging from bacteria to humans. In humans, 3-hydroxypyruvic acid is involved in the glycine and serine metabolism. 3-hydroxypyruvic acid is also involved in several metabolic disorders, some of which include dihydropyrimidine dehydrogenase deficiency (DHPD), 3-phosphoglycerate dehydrogenase deficiency, hyperglycinemia, non-ketotic, and non ketotic hyperglycinemia. Hydroxypyruvic acid is a pyruvic acid derivative with the formula C3H4O4 and a neutral charge with an atomic mass of 104.06146 . Hydroxypyruvic acid is an intermediate in the metabolism of Glycine, serine and threonine. It is a substrate for Serine--pyruvate aminotransferase and Glyoxylate reductase/hydroxypyruvate reductase. Hydroxypyruvic acid (β-Hydroxypyruvic acid) is an intermediate in the metabolism of glycine, serine and threonine. Hydroxypyruvic acid is a substrate for serine-pyruvate aminotransferase and glyoxylate reductase/hydroxypyruvate reductase. Hydroxypyruvic acid is involved in the metabolic disorder which is the dimethylglycine dehydrogenase deficiency pathway.

   

Allophanic acid

Urea-1-carboxylic acid

C2H4N2O3 (104.0222)


   

Tartronate semialdehyde

2-hydroxy-3-oxopropanoic acid

C3H4O4 (104.011)


Tartronate semialdehyde is an intermediate in ascorbate and aldarate as well as glyoxylate and dicarboxylate metabolism. It is generated from 2-dehydro-3-deoxy-D-glucarate and 5-dehydro-4-deoxy-D-glucarate via the enzyme 2-dehydro-3-deoxyglucarate aldolase [EC:4.1.2.20]. [HMDB]. Tartronate semialdehyde is found in many foods, some of which are wild leek, common salsify, sunflower, and new zealand spinach. Tartronate semialdehyde is an intermediate in ascorbate and aldarate as well as glyoxylate and dicarboxylate metabolism. It is generated from 2-dehydro-3-deoxy-D-glucarate and 5-dehydro-4-deoxy-D-glucarate via the enzyme 2-dehydro-3-deoxyglucarate aldolase [EC:4.1.2.20].

   

3-(Methylthio)propanal

3-(methylthio)Propionaldehyde (methional)

C4H8OS (104.0296)


3-(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 anises, sparkleberries, oats, passion fruits, and hard wheats. 3-(Methylthio)propanal is a flavouring ingredient. It is found in many foods, some of which are cucumber, jujube, mugwort, and chicory leaves. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists

   

S-Methyl propanethioate

2-[(1H-Benzimidazol-2-ylmethyl)thio]-N-2-naphthylacetamide

C4H8OS (104.0296)


S-Methyl propanethioate is a flavouring ingredient [CCD Flavouring ingredient [CCD]

   

S-Ethyl thioacetate

Ethanethioic acid, S-ethyl ester

C4H8OS (104.0296)


S-Ethyl thioacetate is a flavouring ingredien Flavouring ingredient

   

3-Mercapto-2-butanone

2-butanone, 3-mercapto-

C4H8OS (104.0296)


3-Mercapto-2-butanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive

   

(Methylthio)acetone

1-(methylthio)-2-Propanone, 9ci

C4H8OS (104.0296)


(Methylthio)acetone is found in animal foods. (Methylthio)acetone is present in roasted sesame seed oil, cooked beef liver and acid hydrolysed soy protein. (Methylthio)acetone is a flavouring agent. Present in roasted sesame seed oil, cooked beef liver and acid hydrolysed soy protein. Flavouring agent. (Methylthio)acetone is found in fats and oils, pulses, and animal foods.

   

4-Mercapto-2-butanone

4-Sulphanylbutan-2-one

C4H8OS (104.0296)


4-Mercapto-2-butanone is a flavouring ingredient. Flavouring ingredient

   

Allyl methyl sulfoxide

3-(Methylsulfinyl)-1-propene

C4H8OS (104.0296)


Allyl methyl sulfoxide is an odourless garlic-derived metabolite found in human breast milk and urine. It is likely the oxidation product of allyl methyl sulfide (AMS) otherwise known as 3-(methylthio)-1-propene.

   

Cysteinyl

2-Amino-3-sulphanylpropanoyl

C3H6NOS (104.017)


   

METHACRYLOYL CHLORIDE

Methacryloyl chloride, 1-(14)C-labeled

C4H5ClO (104.0029)


   

Tetramethylene sulfoxide

tetrahydro-Thiophene-1-oxide

C4H8OS (104.0296)


   

thiobutyric acid

butanethioic S-acid

C4H8OS (104.0296)


   

Sodium hydrogen sulfite

Primaeres natriumsulphit

HNaO3S (103.9544)


It is used in food processing as sanitising agent for food containers and fermentation equipment, preservative to reduce or prevent microbial spoilage, selective inhibitor of undesirable microorganisms in the fermentation industries, and as an antioxidant and inhibitor of enzyme-catalysed oxidative discoloration and non-enzymic browning. Sodium bisulfite (sodium hydrogen sulfite) is a chemical compound with the chemical formula NaHSO3. Sodium bisulfite is a food additive with E number E222. This salt of bisulfite can be prepared by bubbling sulfur dioxide in a solution of sodium carbonate in water. Sodium bisulfite in contact with chlorine bleach (aqueous solution of sodium hypochlorite) will release harmful fumes. It is used in food processing as sanitising agent for food containers and fermentation equipment, preservative to reduce or prevent microbial spoilage, selective inhibitor of undesirable microorganisms in the fermentation industries, and as an antioxidant and inhibitor of enzyme-catalysed oxidative discoloration and non-enzymic browning

   

Tetramethylene sulfoxide

Tetrahydrothiophene 1-oxide

C4H8OS (104.0296)


   

METHACRYLOYL CHLORIDE

METHACRYLOYL CHLORIDE

C4H5ClO (104.0029)


   

2-methoxy-2-oxoacetic acid

2-methoxy-2-oxoacetic acid

C3H4O4 (104.011)


   

2,3-dihydroxyacrylic acid

2,3-dihydroxyacrylic acid

C3H4O4 (104.011)


   

1,3-dithiole

1,3-dithiole

C3H4S2 (103.9754)


   

Monohydrazide-Oxalic acid

Monohydrazide-Oxalic acid

C2H4N2O3 (104.0222)


   

1-sulfinylbutane

1-sulfinylbutane

C4H8OS (104.0296)


   

CCC=CSO

CCC=CSO

C4H8OS (104.0296)


   

Malonate

malonic acid

C3H4O4 (104.011)


   

malonic acid

Propanedioic acid

C3H4O4 (104.011)


An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.

   

Hydroxypyruvate

Hydroxypyruvate

C3H4O4 (104.011)


   

Malonic acid; LC-tDDA; CE10

Malonic acid; LC-tDDA; CE10

C3H4O4 (104.011)


   

Malonic acid; LC-tDDA; CE20

Malonic acid; LC-tDDA; CE20

C3H4O4 (104.011)


   

Tetrahydrothiophene sulfoxide

Tetrahydrothiophene sulfoxide

C4H8OS (104.0296)


   

Methional

4-01-00-03974 (Beilstein Handbook Reference)

C4H8OS (104.0296)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists

   

Ethyl thioacetate

Ethanethioic acid, S-ethyl ester

C4H8OS (104.0296)


   

S-Methyl thiopropanoate

2-[(1H-Benzimidazol-2-ylmethyl)thio]-N-2-naphthylacetamide

C4H8OS (104.0296)


   

UNII:99G79565PJ

3-Mercapto-2-butanone

C4H8OS (104.0296)


   

FEMA 3882

1-(methylthio)-2-Propanone, 9ci

C4H8OS (104.0296)


   

FEMA 3357

1-Mercaptobutan-3-one

C4H8OS (104.0296)


   

boron trifluoride dihydrate

boron trifluoride dihydrate

BF3H4O2 (104.0256)


   

Hydrazine-15N2 dihydrochloride

Hydrazine-15N2 dihydrochloride

Cl2H6N2 (103.9908)


   

Dinitrogen tetrafluoride

Dinitrogen tetrafluoride

F4N2 (103.9998)


   

Cyclopropanecarbonyl chloride

Cyclopropanecarbonyl chloride

C4H5ClO (104.0029)


   

2-Crotonoyl chloride

2-Crotonoyl chloride

C4H5ClO (104.0029)


   

Silicon tetrafluoride

Silicon tetrafluoride

F4Si (103.9705)


   

chlorotrifluoromethane

chlorotrifluoromethane

CClF3 (103.9641)


   

aluminum oxide

aluminum oxide

Al2H2O3 (103.9635)


   

((Methylthio)methyl)oxirane

((Methylthio)methyl)oxirane

C4H8OS (104.0296)


   

1-Fluorocyclopropanecarboxylic acid

1-Fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

Potassium phosphinate

Potassium hypophosphite

H2KO2P (103.943)


Listed in the EAFUS Food Additive Database (Jan 2001) but with no reported uses

   

1H-Imidazole hydrochloride

1H-Imidazole hydrochloride

C3H5ClN2 (104.0141)


   

Malonic acid-2-13C

Malonic acid-2-13C

C3H4O4 (104.011)


   

3-Hydroxytetrahydrothiophene

3-Hydroxytetrahydrothiophene

C4H8OS (104.0296)


   

Hydrazine Dihydrochloride

Hydrazine Dihydrochloride

H6Cl2N2 (103.9908)


   

2-Butenal, 2-chloro-

2-Butenal, 2-chloro-

C4H5ClO (104.0029)


   

1,4-Oxathiane

1,4-Oxathiane

C4H8OS (104.0296)


   

Sodium bisulfite

Sodium bisulfite

HNaO3S (103.9544)


D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D009153 - Mutagens D000890 - Anti-Infective Agents

   

4-CHLORO-2-BUTYN-1-OL

4-CHLORO-2-BUTYN-1-OL

C4H5ClO (104.0029)


   

ethylnitrolic acid

ethylnitrolic acid

C2H4N2O3 (104.0222)


   

Malonic acid-1,3-13C2

Malonic acid-1,3-13C2

C3H4O4 (104.011)


   

Sodium hypophosphite monohydrate

Sodium hypophosphite monohydrate

H2NaO3P (103.9639)


   

TETRAHYDRO-THIOPHEN-3-OL

TETRAHYDRO-THIOPHEN-3-OL

C4H8OS (104.0296)


   

Hydrazine-d4 dideuteriochloride

Hydrazine-d4 dideuteriochloride

Cl2H6N2 (103.9908)


   

Nitroguanidine

Nitroguanidine

CH4N4O2 (104.0334)


   

(1R,2R)-2-fluorocyclopropanecarboxylic acid

(1R,2R)-2-fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

Methyl 2-fluoroacrylate

Methyl 2-fluoroacrylate

C4H5FO2 (104.0274)


   

2-chloro-4,5-dihydro-1H-imidazole

2-chloro-4,5-dihydro-1H-imidazole

C3H5ClN2 (104.0141)


   

4-chloro-2,3-dihydrofuran

4-chloro-2,3-dihydrofuran

C4H5ClO (104.0029)


   

2-fluorocyclopropanecarboxylic acid

2-fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

Cyclopropanecarboxylic acid, 2-fluoro-, (1S,2R)-

Cyclopropanecarboxylic acid, 2-fluoro-, (1S,2R)-

C4H5FO2 (104.0274)


   

(1R,2S)-2-fluorocyclopropanecarboxylic acid

(1R,2S)-2-fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

POLY(HEXAFLUOROPROPYLENE OXIDE) MONOCAR&

POLY(HEXAFLUOROPROPYLENE OXIDE) MONOCAR&

Cl[CF3)CF2O]nCF2COOH (103.9641)


   

methazonic acid

methazonic acid

C2H4N2O3 (104.0222)


   

Magnesium sulfite

Magnesium sulfite

MgO3S (103.9419)


   

2-Nitroacetamide

2-Nitroacetamide

C2H4N2O3 (104.0222)


   

Oxirane,2-(1-chloroethenyl)-

Oxirane,2-(1-chloroethenyl)-

C4H5ClO (104.0029)


   

Lithium dihydrogen phosphate

Lithium dihydrogen phosphate

H2LiO4P (103.9851)


   

3-Methylmercaptopropionic Acid

3-Methylmercaptopropionic Acid

C4H8OS (104.0296)


   

1,3-Oxathiane

1,3-Oxathiane

C4H8OS (104.0296)


An organosulfur heterocyclic compound and an oxacycle that is a cyclohexane in which the carbon atoms at position 1 and 3 are replaced by an oxygen and sulfur atom respectively.

   

Disodium ethene-1,1-diolate

Disodium ethene-1,1-diolate

C2H2Na2O2 (103.985)


   

Calcium diperoxide

Calcium diperoxide

CaO4-2 (103.9423)


   

4-Chloro-3-buten-2-one

4-Chloro-3-buten-2-one

C4H5ClO (104.0029)


   

(E)-1-butenesulfenate

(E)-1-butenesulfenate

C4H8OS (104.0296)


   

Cysteinyl

Cysteinyl

C3H6NOS (104.017)


   

2-Nitroguanidine

2-Nitroguanidine

CH4N4O2 (104.0334)


   

Serinate

Serinate

C3H6NO3- (104.0348)


An alpha-amino-acid anion that is the conjugate base of serine.

   

2,3-Dihydroxypropenoic acid

2,3-Dihydroxypropenoic acid

C3H4O4 (104.011)


   

D-serinate

D-serinate

C3H6NO3- (104.0348)


The D-enantiomer of serinate.

   

(2S)-2-Amino-3-hydroxypropanoate

(2S)-2-Amino-3-hydroxypropanoate

C3H6NO3- (104.0348)


   

Ethyl N-oxidocarbamate

Ethyl N-oxidocarbamate

C3H6NO3- (104.0348)


   

hydroxypyruvic acid

3-Hydroxypyruvic acid

C3H4O4 (104.011)


A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a hydroxy group. It is an intermediate involved in the glycine and serine metabolism. Hydroxypyruvic acid (β-Hydroxypyruvic acid) is an intermediate in the metabolism of glycine, serine and threonine. Hydroxypyruvic acid is a substrate for serine-pyruvate aminotransferase and glyoxylate reductase/hydroxypyruvate reductase. Hydroxypyruvic acid is involved in the metabolic disorder which is the dimethylglycine dehydrogenase deficiency pathway.

   

2-hydroxy-3-oxopropanoic acid

2-hydroxy-3-oxopropanoic acid

C3H4O4 (104.011)


   

Allophanic acid

Allophanic acid

C2H4N2O3 (104.0222)


   

1-(methylthio)acetone

1-methylthio-2-Propanone

C4H8OS (104.0296)


   

4-mercapto-2-butanone

4-mercapto-2-butanone

C4H8OS (104.0296)


   

S-Methyl propanethioate

S-Methyl propanethioate

C4H8OS (104.0296)


   

Allyl methyl sulfoxide

Allyl methyl sulfoxide

C4H8OS (104.0296)


   

Urea-1-carboxylic acid

Urea-1-carboxylic acid

C2H4N2O3 (104.0222)


A member of the class of ureas that is urea in which one of the hydrogens has been replaced by a carboxy group.

   

L-serinate

L-serinate

C3H6NO3 (104.0348)


A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group.

   

Methylthiopropanal

Methylthiopropanal

C4H8OS (104.0296)


   

Tetrahydrothiophene-1-oxide

Tetrahydrothiophene-1-oxide

C4H8OS (104.0296)