Exact Mass: 115.9641

Exact Mass Matches: 115.9641

Found 81 metabolites which its exact mass value is equals to given mass value 115.9641, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Maleic acid

(2Z)-but-2-enedioic acid

C4H4O4 (116.011)


Maleic acid is a colorless crystalline solid having a faint odor. It is combustible though it may take some effort to ignite. It is soluble in water. It is used to make other chemicals and for dyeing and finishing naturally occurring fibers. Maleic acid is a butenedioic acid in which the double bond has cis- (Z)-configuration. It has a role as a plant metabolite, an algal metabolite and a mouse metabolite. It is a conjugate acid of a maleate(1-) and a maleate. Maleic acid is a natural product found in Populus tremula, Ardisia crenata, and other organisms with data available. Maleic Acid is an organic salt or ester of maleic acid that could be conjugated to free base compounds/drugs to improve the physiochemical properties including stability, solubility and dissolution rate. (NCI) Maleic acid is an industrial raw material for the production of glyoxylic acid by ozonolysis. Maleic acid is an organic compound which is a dicarboxylic acid (molecule with two carboxyl groups). The molecule consists of an ethylene group flanked by two carboxylic acid groups. Maleic acid is the cis isomer of butenedioic acid, whereas fumaric acid is the trans isomer. The cis isomer is the less stable one of the two; the difference in heat of combustion is 22.7 kJ/mol. The physical properties of maleic acid are very different from that of fumaric acid. Maleic acid is soluble in water whereas fumaric acid is not and the melting point of maleic acid (130 - 131 degree centigrade) is also much lower than that of fumaric acid (287 degree centigrade). Both properties of maleic acid can be explained on account of the intramolecular hydrogen bonding that takes place at the expense of intermolecular interactions. Maleic acid is converted into maleic anhydride by dehydration, to malic acid by hydration, and to succinic acid by hydrogenation. It reacts with thionyl chloride or phosphorus pentachloride to give the maleic acid chloride (it is not possible to isolate the mono acid chloride). Maleic acid is a reactant in many Diels-Alder reactions. See also: Surfomer (monomer of); Ferropolimaler (monomer of). Maleic acid is an industrial raw material for the production of glyoxylic acid by ozonolysis. Maleic acid is an organic compound which is a dicarboxylic acid (molecule with two carboxyl groups). The molecule consists of an ethylene group flanked by two carboxylic acid groups. Maleic acid is the cis isomer of butenedioic acid, whereas fumaric acid is the trans isomer. The cis isomer is the less stable one of the two; the difference in heat of combustion is 22.7 kJ/mol. The physical properties of maleic acid are very different from that of fumaric acid. Maleic acid is soluble in water whereas fumaric acid is not and the melting point of maleic acid (130 - 131 degree centigrade) is also much lower than that of fumaric acid (287 degree centigrade). Both properties of maleic acid can be explained on account of the intramolecular hydrogen bonding that takes place at the expense of intermolecular interactions. Maleic acid is converted into maleic anhydride by dehydration, to malic acid by hydration, and to succinic acid by hydrogenation. It reacts with thionyl chloride or phosphorus pentachloride to give the maleic acid chloride (it is not possible to isolate the mono acid chloride). Maleic acid is a reactant in many Diels-Alder reactions. [HMDB]. Maleic acid is found in many foods, some of which are cocoa bean, lovage, roselle, and corn. Maleic acid is a dicarboxylic acid, a molecule with two carboxyl groups. It consists of an ethylene group flanked by two carboxylic acid groups. Maleic acid is the cis isomer of butenedioic acid, whereas fumaric acid is the trans isomer. The cis isomer is the less stable one of the two; the difference in heat of combustion is 22.7 kJ/mol. The physical properties of maleic acid are very different from that of fumaric acid. Maleic acid is soluble in water whereas fumaric acid is not and the melting point of maleic acid (130 - 131 oC) is also much lower than that of fumaric acid (287 oC). Maleic acid is converted into maleic anhydride by dehydration, to malic acid by hydration, and to succinic acid by hydrogenation. Maleic acid is used in making polyesters for fibre-reinforced laminated moldings and paint vehicles. More specifically it is used in the manufacture of phthalic-type alkyd and polyester resins, surface coatings, copolymers, plasticizers, lubricant additives and agricultural chemicals. It is also found in adhesives and sealants and as a preservative for oils and fats. In the natural world, maleic acid has been identified in ginseng, pineapple, cacao plants, sour cherries and corn. A large number of microbes are able to convert maleic acid to D-malate using the enzyme maleate hydratase (PMID: 1444397). A butenedioic acid in which the double bond has cis- (Z)-configuration. Maleic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=110-16-7 (retrieved 2024-06-29) (CAS RN: 110-16-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Maleic Acid is a Glutamate Decarboxylase (GAD) inhibitor of E. coli and L. monocytogenes. Maleic Acid is a Glutamate Decarboxylase (GAD) inhibitor of E. coli and L. monocytogenes.

   

Fumaric acid

(2E)-but-2-enedioic acid

C4H4O4 (116.011)


Fumaric acid appears as a colorless crystalline solid. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Combustible, though may be difficult to ignite. Used to make paints and plastics, in food processing and preservation, and for other uses. Fumaric acid is a butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. It has a role as a food acidity regulator, a fundamental metabolite and a geroprotector. It is a conjugate acid of a fumarate(1-). Fumaric acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Fumaric acid is a precursor to L-malate in the Krebs tricarboxylic acid cycle. It is formed by the oxidation of succinate by succinate dehydrogenase. Fumarate is converted by fumarase to malate. A fumarate is a salt or ester of the organic compound fumaric acid, a dicarboxylic acid. Fumarate has recently been recognized as an oncometabolite. (A15199). As a food additive, fumaric acid is used to impart a tart taste to processed foods. It is also used as an antifungal agent in boxed foods such as cake mixes and flours, as well as tortillas. Fumaric acid is also added to bread to increase the porosity of the final baked product. It is used to impart a sour taste to sourdough and rye bread. In cake mixes, it is used to maintain a low pH and prevent clumping of the flours used in the mix. In fruit drinks, fumaric acid is used to maintain a low pH which, in turn, helps to stabilize flavor and color. Fumaric acid also prevents the growth of E. coli in beverages when used in combination with sodium benzoate. When added to wines, fumaric acid helps to prevent further fermentation and yet maintain low pH and eliminate traces of metallic elements. In this fashion, it helps to stabilize the taste of wine. Fumaric acid can also be added to dairy products, sports drinks, jams, jellies and candies. Fumaric acid helps to break down bonds between gluten proteins in wheat and helps to create a more pliable dough. Fumaric acid is used in paper sizing, printer toner, and polyester resin for making molded walls. Fumaric acid is a dicarboxylic acid. It is a precursor to L-malate in the Krebs tricarboxylic acid (TCA) cycle. It is formed by the oxidation of succinic acid by succinate dehydrogenase. Fumarate is converted by the enzyme fumarase to malate. Fumaric acid has recently been identified as an oncometabolite or an endogenous, cancer causing metabolite. High levels of this organic acid can be found in tumors or biofluids surrounding tumors. Its oncogenic action appears to due to its ability to inhibit prolyl hydroxylase-containing enzymes. In many tumours, oxygen availability becomes limited (hypoxia) very quickly due to rapid cell proliferation and limited blood vessel growth. The major regulator of the response to hypoxia is the HIF transcription factor (HIF-alpha). Under normal oxygen levels, protein levels of HIF-alpha are very low due to constant degradation, mediated by a series of post-translational modification events catalyzed by the prolyl hydroxylase domain-containing enzymes PHD1, 2 and 3, (also known as EglN2, 1 and 3) that hydroxylate HIF-alpha and lead to its degradation. All three of the PHD enzymes are inhibited by fumarate. Fumaric acid is found to be associated with fumarase deficiency, which is an inborn error of metabolism. It is also a metabolite of Aspergillus. Produced industrially by fermentation of Rhizopus nigricans, or manufactured by catalytic or thermal isomerisation of maleic anhydride or maleic acid. Used as an antioxidant, acidulant, leavening agent and flavouring agent in foods. Present in raw lean fish. Dietary supplement. Used in powdered products since fumaric acid is less hygroscopic than other acids. A precursor to L-malate in the Krebs tricarboxylic acid cycle. It is formed by the oxidation of succinate by succinate dehydrogenase (wikipedia). Fumaric acid is also found in garden tomato, papaya, wild celery, and star fruit. Fumaric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=110-17-8 (retrieved 2024-07-01) (CAS RN: 110-17-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Fumaric acid, associated with fumarase deficiency, is identified as an oncometabolite or an endogenous, cancer causing metabolite. Fumaric acid, associated with fumarase deficiency, is identified as an oncometabolite or an endogenous, cancer causing metabolite.

   

Formylpyruvate

Formylpyruvate

C4H4O4 (116.011)


   

2-Thiophenethiol

2-Thienyl hydrosulfide

C4H4S2 (115.9754)


2-Thiophenethiol is a flavouring ingredien Flavouring ingredient

   

1,4-Dioxane-2,5-dione

1,4-Dioxane-2,5-dione

C4H4O4 (116.011)


   

2-Thiohydantoin

2-sulfanylideneimidazolidin-4-one

C3H4N2OS (116.0044)


   

But-2-enedioic acid

But-2-enedioic acid

C4H4O4 (116.011)


   

Chlorosulfonic acid

oxidanesulfonyl chloride

ClHO3S (115.9335)


   

Chlorotrifluoroethylene

1-chloro-1,2,2-trifluoroethene

C2ClF3 (115.9641)


   

Iron(II) carbonate (FeCO3)

Iron(II) carbonic acid (feco3)

CFeO3 (115.9197)


B - Blood and blood forming organs > B03 - Antianemic preparations > B03A - Iron preparations > B03AA - Iron bivalent, oral preparations D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds Nutrient supplement

   

3-thienyl mercaptan

3-thienyl mercaptan

C4H4S2 (115.9754)


Flavouring compound [Flavornet]

   

Maleic Acid

Maleic Acid

C4H4O4 (116.011)


D004791 - Enzyme Inhibitors Maleic Acid is a Glutamate Decarboxylase (GAD) inhibitor of E. coli and L. monocytogenes. Maleic Acid is a Glutamate Decarboxylase (GAD) inhibitor of E. coli and L. monocytogenes.

   

Methylmalonate

Methylmalonate

C4H4O4 (116.011)


   

pterospermin C

pterospermin C

C4H4O4 (116.011)


   

fumarate

Fumaric Acid

C4H4O4 (116.011)


Fumaric acid, also known as fumarate or trans-butenedioic acid, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Fumaric acid is soluble (in water) and a weakly acidic compound (based on its pKa). Fumaric acid can be found in a number of food items such as cardoon, irish moss, sapodilla, and oregon yampah, which makes fumaric acid a potential biomarker for the consumption of these food products. Fumaric acid can be found primarily in most biofluids, including saliva, cerebrospinal fluid (CSF), urine, and sweat, as well as in human prostate tissue. Fumaric acid exists in all living species, ranging from bacteria to humans. In humans, fumaric acid is involved in several metabolic pathways, some of which include azathioprine action pathway, the oncogenic action of succinate, thioguanine action pathway, and arginine and proline metabolism. Fumaric acid is also involved in several metabolic disorders, some of which include gout or kelley-seegmiller syndrome, the oncogenic action of d-2-hydroxyglutarate in hydroxygluaricaciduria, ornithine transcarbamylase deficiency (OTC deficiency), and mitochondrial complex II deficiency. Moreover, fumaric acid is found to be associated with alzheimers disease, fumarase deficiency, and lung Cancer. Fumaric acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Fumaric acid or trans-butenedioic acid is the chemical compound with the formula HO2CCH=CHCO2H. It is produced in eukaryotic organisms from succinate in complex 2 of the electron transport chain via the enzyme succinate dehydrogenase. It is one of two isomeric unsaturated dicarboxylic acids, the other being maleic acid. In fumaric acid the carboxylic acid groups are trans (E) and in maleic acid they are cis (Z). Fumaric acid has a fruit-like taste . Acute exposure: EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. Fumaric acid, associated with fumarase deficiency, is identified as an oncometabolite or an endogenous, cancer causing metabolite. Fumaric acid, associated with fumarase deficiency, is identified as an oncometabolite or an endogenous, cancer causing metabolite.

   

Fumaric Acid

(2Z)-2-Butenedioic acid

C4H4O4 (116.011)


Fumaric acid, associated with fumarase deficiency, is identified as an oncometabolite or an endogenous, cancer causing metabolite. Fumaric acid, associated with fumarase deficiency, is identified as an oncometabolite or an endogenous, cancer causing metabolite.

   

Fumaric acid (not validated)

Fumaric acid (not validated)

C4H4O4 (116.011)


Annotation level-3

   

Fumaric acid; LC-tDDA; CE10

Fumaric acid; LC-tDDA; CE10

C4H4O4 (116.011)


   

maleate

maleate

C4H4O4 (116.011)


   

Thienylmercaptan

2-Thienyl hydrosulfide

C4H4S2 (115.9754)


   

1,3,4-thiadiazol-2-ylmethanol

1,3,4-thiadiazol-2-ylmethanol

C3H4N2OS (116.0044)


   

3,4-Thiophenediol

3,4-Thiophenediol

C4H4O2S (115.9932)


   

2,2,2-trifluoroethanediol

2,2,2-trifluoroethanediol

C2H3F3O2 (116.0085)


   

Trifluoroacetyl fluoride

Trifluoroacetyl fluoride

C2F4O (115.9885)


   

Chlorotrifluoroethylene

fluorolube grease, gr-362

C2ClF3 (115.9641)


   

2-fluoro-5-methylthiophene

2-fluoro-5-methylthiophene

C5H5FS (116.0096)


   

calcium perborate

calcium perborate

BCaHO4 (115.9594)


   

titanium hydroxide

titanium hydroxide

H4O4Ti (115.9589)


   

Potassium acetate hydrate, Puratronic®

Potassium acetate hydrate, Puratronic®

C2H5KO3 (115.9876)


   

sodium formate

sodium formate

C2H3DNaO4 (116.007)


   

4-Thioxo-2-imidazolidinone

4-Thioxo-2-imidazolidinone

C3H4N2OS (116.0044)


   

zinc,dicyanide

zinc,dicyanide

C2N2Zn (115.9353)


   

Glycolide

1,4-Dioxane-2,5-dione

C4H4O4 (116.011)


   

Boron trichloride

Boron trichloride

BCl3 (115.9159)


   

4-Thiazolol, 2-amino-

4-Thiazolol, 2-amino-

C3H4N2OS (116.0044)


   

2-Amino-4-hydroxythiazole

2-Amino-4-hydroxythiazole

C3H4N2OS (116.0044)


   

trifluoroacetaldehyde hydrate

trifluoroacetaldehyde hydrate

C2H3F3O2 (116.0085)


   

Potassium fluoroacetate

Potassium fluoroacetate

C2H2FKO2 (115.9676)


   

1,2,3-Thiadiazol-4-methanol ,97

1,2,3-Thiadiazol-4-methanol ,97

C3H4N2OS (116.0044)


   

Poly(chlorotrifluoroethylene-co-vinylide ne fluoride) 26 mole\\% vinylidene fluori

Poly(chlorotrifluoroethylene-co-vinylide ne fluoride) 26 mole\\% vinylidene fluori

C2ClF3 (115.9641)


   

Sodium chloroacetate

Sodium chloroacetate

C2H2ClNaO2 (115.9641)


   

2,2,2-TRIFLUOROETHANETHIOL

2,2,2-TRIFLUOROETHANETHIOL

C2H3F3S (115.9908)


   

Titanium(4+) tetrahydroxide

Titanium(4+) tetrahydroxide

H4O4Ti (115.9589)


   

Diglycolic Anhydride

Diglycolic Anhydride

C4H4O4 (116.011)


   

calcium silicate

calcium silicate

CaO3Si (115.9243)


   

(1,2,3-Thiadiazol-5-yl)methanol

(1,2,3-Thiadiazol-5-yl)methanol

C3H4N2OS (116.0044)


   

Zirconium Boride

Zirconium Boride

B2H4Zr (115.9546)


   

LITHIUM CHLORIDE-POTASSIUM CHLORIDE

LITHIUM CHLORIDE-POTASSIUM CHLORIDE

Cl2KLi (115.9174)


   

Trilithium phosphate

Trilithium phosphate

Li3O4P (116.0014)


   

Sodium ethanesulfinate

Sodium ethanesulfinate

C2H5NaO2S (115.9908)


   

1,1-Dichloro-1-fluoroethane

1,1-Dichloro-1-fluoroethane

C2H3Cl2F (115.9596)


   

2-Thiohydantoin

2-Thiohydantoin

C3H4N2OS (116.0044)


   

Pseudothiohydantoin

Pseudothiohydantoin

C3H4N2OS (116.0044)


   

Cobalt(Iii) Fluoride

Cobalt(Iii) Fluoride

CoF3 (115.9284)


   

ANION STANDARD-SUCCINATE

ANION STANDARD-SUCCINATE

C4H4O4-- (116.011)


   

iron silicide

iron silicide

FeH4Si2 (115.9201)


   

2-(Chloromethyl)furan

2-(Chloromethyl)furan

C5H5ClO (116.0029)


   

3-(Chloromethyl)furan

3-(Chloromethyl)furan

C5H5ClO (116.0029)


   

Methyldichlorophosphine

Methyldichlorophosphine

CH3Cl2P (115.9349)


   

1,2-dichlorofluoroethane

1,2-dichlorofluoroethane

C2H3Cl2F (115.9596)


   

5-METHYL-[1,3,4]OXADIAZOLE-2-THIOL

5-METHYL-[1,3,4]OXADIAZOLE-2-THIOL

C3H4N2OS (116.0044)


   

2-chloro-2,2-difluoroethanol

2-chloro-2,2-difluoroethanol

C2H3ClF2O (115.984)


   

Chromate

Chromate

CrO4-2 (115.9202)


   

Thiocyanogen

Thiocyanogen

C2N2S2 (115.9503)


   

Diaziridine, tetrafluoro-

Diaziridine, tetrafluoro-

CF4N2 (115.9998)


   

Chromate ion cr-51

Chromate ion cr-51

CrO4-2 (115.9202)


   

Succinate

Succinate

C4H4O4-2 (116.011)


   

Oxomalonate

Oxomalonate

C3O5-2 (115.9746)


   

2-Methylpropanedioate

2-Methylpropanedioate

C4H4O4-2 (116.011)


   

3-Nitroacrylate

3-Nitroacrylate

C3H2NO4- (115.9984)


   

5-Hydroxyoxolane-2,3-dione

5-Hydroxyoxolane-2,3-dione

C4H4O4 (116.011)


   

Hydrogenvanadate

Hydrogenvanadate

HO4V-2 (115.9314)


   

Pentahydroxyphosphorane

Pentahydroxyphosphorane

H5O5P (115.9875)


   

Succinate_d4

Succinate_d4

C4H4O4-2 (116.011)


   

Tetrafluoroformamidine

Tetrafluoroformamidine

CF4N2 (115.9998)


   

FERROUS CARBONATE

FERROUS CARBONATE

CFeO3 (115.9197)


B - Blood and blood forming organs > B03 - Antianemic preparations > B03A - Iron preparations > B03AA - Iron bivalent, oral preparations D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds

   

succinate(2-)

succinate(2-)

C4H4O4 (116.011)


A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of succinic acid.

   

2-Thienylthiol

Thiophene-2-thiol

C4H4S2 (115.9754)


   

methylmalonate(2-)

methylmalonate(2-)

C4H4O4 (116.011)


A C4-dicarboxylate resulting from the removal of a proton from both carboxylic acid groups of methylmalonic acid.

   

Wollastonite

Wollastonite

CaSiO3 (115.9243)


   

furan-2,3,4-triol

furan-2,3,4-triol

C4H4O4 (116.011)