Exact Mass: 226.9946

Exact Mass Matches: 226.9946

Found 329 metabolites which its exact mass value is equals to given mass value 226.9946, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2,4,6-Trinitrotoluene

2-methyl-1,3,5-trinitrobenzene

C7H5N3O6 (227.0178)

Trinitrotoluene, also known as tnt or S-trinitrotoluol, is a member of the class of compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. Trinitrotoluene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Trinitrotoluene can be found in a number of food items such as parsnip, broccoli, highbush blueberry, and sunburst squash (pattypan squash), which makes trinitrotoluene a potential biomarker for the consumption of these food products. Trinitrotoluene is formally rated as an unfounded non-carcinogenic (IARC 3) potentially toxic compound. Trinitrotoluene (; TNT), or more specifically 2,4,6-trinitrotoluene, is a chemical compound with the formula C6H2(NO2)3CH3. This yellow solid is sometimes used as a reagent in chemical synthesis, but it is best known as an explosive material with convenient handling properties. The explosive yield of TNT is considered to be the standard measure of bombs and other explosives. In chemistry, TNT is used to generate charge transfer salts . In some cases, gastric lavage, activated charcoal, and emetics have been suggested as useful in reducing absorption of the general class of nitro compounds to which 2,4,6-trinitrotoluene belongs (L132) (T3DB). CONFIDENCE standard compound; INTERNAL_ID 42 D053834 - Explosive Agents

L-Glutamic acid 5-phosphate

(2S)-2-Amino-5-oxo-5-(phosphonooxy)pentanoic acid

C5H10NO7P (227.0195)

L-Glutamic acid 5-phosphate is an intermediate in the urea cycle and the metabolism of amino groups. It is a substrate of aldehyde dehydrogenase 18 family, member A1 [EC:2.7.2.11 1.2.1.41] (KEGG)In citrulline biosynthesis, it is a substrate of the enzyme glutamate-5-semialdehyde dehydrogenase [EC 1.2.1.41] and in proline synthesis it is a substrate of the enzyme Glutamate 5-kinase [EC 2.7.2.11] (BioCyc). L-Glutamic acid 5-phosphate is an intermediate in the urea cycle and metabolism of amino groups, a substrate of aldehyde dehydrogenase 18 family, member A1 [EC:2.7.2.11 1.2.1.41] (KEGG)

alpha-glutamyl phosphate

α-D-Glutamyl phosphate

C5H10NO7P (227.0195)

5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate

5-(2-carboxyethyl)-4-hydroxy-6-oxo-5,6-dihydropyridine-2-carboxylic acid

C9H9NO6 (227.043)

5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate is involved in the tryptophan metabolism system. Through a number of reactions, L-Kynurenine is converted to 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate. The last reaction involves 5-(2-formylethyl)-4,6-Dihydroxypicolinate being converted into 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate by [E1.2.1.-]. [HMDB] 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate is involved in the tryptophan metabolism system. Through a number of reactions, L-Kynurenine is converted to 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate. The last reaction involves 5-(2-formylethyl)-4,6-Dihydroxypicolinate being converted into 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate by [E1.2.1.-].

Stizolobate

Stizolobic acid

C9H9NO6 (227.043)

Stizolobinate

Stizolobinic acid

C9H9NO6 (227.043)

Nitroglycerin

1,3-bis(nitrooxy)propan-2-yl nitrate

C3H5N3O9 (227.0026)

Nitroglycerin is only found in individuals that have used or taken this drug. It is a volatile vasodilator which relieves angina pectoris by stimulating guanylate cyclase and lowering cytosolic calcium. [PubChem]Similar to other nitrites and organic nitrates, nitroglycerin is converted to nitric oxide (NO), an active intermediate compound which activates the enzyme guanylate cyclase. This stimulates the synthesis of cyclic guanosine 3,5-monophosphate (cGMP) which then activates a series of protein kinase-dependent phosphorylations in the smooth muscle cells, eventually resulting in the dephosphorylation of the myosin light chain of the smooth muscle fiber. The subsequent release of calcium ions results in the relaxation of the smooth muscle cells and vasodilation. C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AE - Muscle relaxants C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D053834 - Explosive Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

3-Amino-4,7-dihydroxy-8-chlorocoumarin

C9H6ClNO4 (226.9985)

alpha-L-glutamyl phosphate

C5H10NO7P (227.0195)

5-Chloro-4-(guanidino)-2,1,3-benzothiazdiazole

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-guanidine

C7H6ClN5S (227.0032)

5-Chloro-4-(guanidino)-2,1,3-benzothiazdiazole is one of the two major metabolites of tizanidine (PMID: 9929503, 19961320). Tizanidine (trade names Zanaflex, Sirdalud) is a drug that is used as a muscle relaxant. It is a centrally acting α2 adrenergic agonist. It is used to treat the spasms, cramping, and tightness of muscles caused by medical problems such as multiple sclerosis, spastic diplegia, back pain, or certain other injuries to the spine or central nervous system. It is also prescribed off-label for migraine headaches, as a sleep aid, and as an anticonvulsant (Wikipedia).

1-(3,4-Dichlorophenyl)-3-azabicyclo[3.1.0]hexane

C11H11Cl2N (227.0269)

2,3,4-Trinitrotoluene

1-methyl-2,3,4-trinitrobenzene

C7H5N3O6 (227.0178)

Adenine monophosphate

5-amino-2,12,13-trioxa-3,6,8,10-tetraaza-1lambda5-phosphatetracyclo[5.5.1.0^{3,11}.0^{4,9}]trideca-4(9),5,7,10-tetraen-1-one

C5H2N5O4P (226.9844)

Chlorquinaldol

2-Methyl-5,7-dichloro-8-hydroxyquinoline

C10H7Cl2NO (226.9905)

G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AC - Quinoline derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AA - Hydroxyquinoline derivatives D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AH - Quinoline derivatives R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents

Humic acid

2-nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

C9H9NO6 (227.043)

D064449 - Sequestering Agents > D002614 - Chelating Agents > D006812 - Humic Substances

6-Hydroxyindoxyl sulfate

(6-Methyl-1H-indol-3-yl)oxidanesulphonic acid