Exact Mass: 156.009039
Exact Mass Matches: 156.009039
Found 500 metabolites which its exact mass value is equals to given mass value 156.009039,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Orotic acid
Orotic acid is classified as a pyrimidinemonocarboxylic acid. That is it is a uracil bearing a carboxy substituent at position C-6. It is also classified as a pyrimidinedione and a carboxylic acid. Orotic acid is a minor dietary constituent. Indeed, until it was realized that it could be synthesized by humans, orotic acid was known as vitamin B-13. The richest dietary sources of orotic acid are cows milk and other dairy products as well as root vegetables such as carrots and beets. Dietary intake probably contributes to a basal rate of orotic acid excretion in urine because fasting decreases excretion by ~50\\\\%. However, it is now apparent that most urinary orotic acid is synthesized in the body, where it arises as an intermediate in the pathway for the synthesis of pyrimidine nucleotides. Orotic acid is converted to UMP by UMP synthase, a multifunctional protein with both orotate phosphoribosyltransferase and orotidylate decarboxylase activity. The most frequently observed inborn error of pyrimidine nucleotide synthesis is a mutation of the multifunctional protein UMP synthase (UMP synthase deficiency or orotic aciduria). This disorder prevents the conversion of orotic acid to UMP, and thus to other pyrimidines. As a result, plasma orotic acid accumulates to high concentrations, and increased quantities appear in the urine. Indeed, urinary orotic acid is so markedly increased in individuals harboring a mutation in UMP synthase that orotic acid crystals can form in the urine. The urinary concentration of orotic acid in individuals suffering from orotic aciduria can be of the order of millimoles of orotic acid per millimole creatinine. By comparison, the urinary level in unaffected individuals is ~ 1 ¬umol/mmol creatinine (PMID: 17513443). Orotic aciduria is characterized by megaloblastic anemia and orotic acid crystalluria that is frequently associated with some degree of physical and mental retardation. These features respond to appropriate pyrimidine replacement therapy and most cases appear to have a good prognosis. When present in sufficiently high levels, orotic acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of orotic acid are associated with at least seven inborn errors of metabolism, including argininemia, LPI syndrome (lysinuric protein intolerance), hyperornithinemia-hyperammonemia-homocitrullinuria (HHH), OTC deficiency, citrullinemia type I, purine nucleoside phosphorylase deficiency, and orotic aciduria. Orotic acid is broadly classified as an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of the untreated IEMs mentioned above. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. Orotic acid, also known as orotate or orotsaeure, is a member of the class of compounds known as pyrimidinecarboxylic acids. Pyrimidinecarboxylic acids are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. Orotic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Orotic acid can be synthesized from uracil. Orotic acid can also be synthesized into dihydroorotic acid. Orotic acid can be found in a number of food items such as okra, atlantic herring, black chokeberry, and prunus (cherry, plum), which makes orotic acid a potential biomarker for the consumption of these food products. Orotic acid can be found primarily in most biofluids, including saliva, amniotic fluid, blood, and urine, as well as in human liver and pancreas tissues. Orotic acid exists in all living species, ranging from bacteria to humans. In humans, orotic acid is involved in the pyrimidine metabolism. Orotic acid is also involved in few metabolic disorders, which include beta ureidopropionase deficiency, dihydropyrimidinase deficiency, MNGIE (mitochondrial neurogastrointestinal encephalopathy), and UMP synthase deficiency (orotic aciduria). Moreover, orotic acid is found to be associated with hyperornithinemia-hyperammonemia-homocitrullinuria, orotic aciduria I, ornithine transcarbamylase deficiency, and n-acetylglutamate synthetase deficiency. Orotic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. The compound is manufactured in the body via a mitochondrial enzyme, dihydroorotate dehydrogenase or a cytoplasmic enzyme of pyrimidine synthesis pathway. It is sometimes used as a mineral carrier in some dietary supplements (to increase their bioavailability), most commonly for lithium orotate . Chronically high levels of orotic acid are associated with at least 4 inborn errors of metabolism including: Argininemia, Citrullinemia Type I, Purine nucleoside phosphorylase deficiency and Orotic Aciduria (T3DB). Orotic acid (6-Carboxyuracil), a precursor in biosynthesis of pyrimidine nucleotides and RNA, is released from the mitochondrial dihydroorotate dehydrogenase (DHODH) for conversion to UMP by the cytoplasmic UMP synthase enzyme. Orotic acid is a marker for measurement in routine newborn screening for urea cycle disorders. Orotic acid can induce hepatic steatosis and hepatomegaly in rats[1][2][3].
5-Carboxyuracil
2,4-Dihydroxypyrimidine-5-carboxylic Acid is an endogenous metabolite.
4-Chlorobenzoic acid
CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4340; ORIGINAL_PRECURSOR_SCAN_NO 4338 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4332; ORIGINAL_PRECURSOR_SCAN_NO 4329 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4361; ORIGINAL_PRECURSOR_SCAN_NO 4356 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4423; ORIGINAL_PRECURSOR_SCAN_NO 4419 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4331; ORIGINAL_PRECURSOR_SCAN_NO 4328 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4339; ORIGINAL_PRECURSOR_SCAN_NO 4337 KEIO_ID C104
Phosphoglycolic acid
Phosphoglycolic acid, also known as 2-phosphoglycolate or (phosphonooxy)-acetate, is a member of the class of compounds known as monoalkyl phosphates. Monoalkyl phosphates are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Phosphoglycolic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Phosphoglycolic acid can be found in a number of food items such as arrowhead, rocket salad (sspecies), roselle, and natal plum, which makes phosphoglycolic acid a potential biomarker for the consumption of these food products. Phosphoglycolic acid can be found primarily throughout most human tissues. Phosphoglycolic acid exists in all living species, ranging from bacteria to humans. Phosphoglycolic acid is a substrate for triose-phosphate isomerase. This compound belongs to the family of Organophosphate Esters. These are organic compounds containing phosphoric acid ester functional group.
Chloroxylenol
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D004202 - Disinfectants Same as: D03473
3-Sulfopropanediol
An alkanesulfonic acid obtained by the formal substitution of one of the methyl hydrogens of propane-1,2-diol by a sulfonic acid group.
2,5-Furandicarboxylic acid
2,5-Furandicarboxylic acid is a normal urinary metabolite in humans. (PMID:14708889, 8087979, 2338430, 3711221). Dietary studies show that the furan derivatives or their precursors are of exogenous origin. They are originated from furan derivatives found in food prepared by strong heating. This may explain the absence of 2,5-furandicarboxylic acid in urine of breastfed children, and the absence of these acids in the urine of rats, pigs, cows, oxs, rabbits, and monkeys (PMID 4630229). 2,5-Furandicarboxylic acid is also a microbial metabolite, a product of the oxidation of hydroxymethylfurfural (HMF) by the enzyme furfural/HMF oxidoreductase which is found in the bacterium Cupriavidus basilensis. Cupriavidus basilensis is a gram-negative soil bacterium of the genus Cupriavidus and the family Burkholderiaceae. 2,5-Furandicarboxylic acid increases with the level of fructose consumed (PMID:20194784). 2,5-Furandicarboxylic acid is a normal urinary metabolite in humans. (PMIDs 14708889, 8087979, 2338430, 3711221) 2,5-Furandicarboxylic acid, detected in human urine, is an important renewable biotechnological building block because it serves as an environmentally friendly substitute for terephthalic acid in the production of polyesters[1].
cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
m-Chlorobenzoic acid
m-Chlorobenzoic acid is a metabolic byproduct of the drug bupropion. Bupropion is sold as Wellbutrin, or Zyban and is an atypical antidepressant that acts as a norepinephrine and dopamine reuptake inhibitor, and nicotinic antagonist. In 2007 it was the fourth-most prescribed antidepressant in the United States retail market, with 20.184 million retail prescriptions. [HMDB] m-Chlorobenzoic acid is a metabolic byproduct of the drug bupropion. Bupropion is sold as Wellbutrin, or Zyban and is an atypical antidepressant that acts as a norepinephrine and dopamine reuptake inhibitor, and nicotinic antagonist. In 2007 it was the fourth-most prescribed antidepressant in the United States retail market, with 20.184 million retail prescriptions. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
S-Propyl thiosulfate
S-Propyl thiosulfate is found in onion-family vegetables. S-Propyl thiosulfate is a constituent of Allium cepa (onion). Constituent of Allium cepa (onion). S-Propyl thiosulfate is found in garden onion and onion-family vegetables.
Ascladiol
Ascladiol is found in cereals and cereal products. Toxin from Aspergillus clavatus in wheat flou
3-(Acetylthio)-2-methylfuran
3-(Acetylthio)-2-methylfuran is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1-(3-Hydroxy-5-methyl-2-thienyl)ethanone
1-(3-Hydroxy-5-methyl-2-thienyl)ethanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Furfuryl thioacetate
Furfuryl thioacetate is found in coffee and coffee products. Furfuryl thioacetate is present in roasted sesame seed oil, meat flavours and coffe Present in roasted sesame seed oil, meat flavours and coffee. Furfuryl thioacetate is found in coffee and coffee products and fats and oils.
Methyl phenyl disulfide
Methyl phenyl disulfide is found in beverages. Methyl phenyl disulfide is found in cocoa. Methyl phenyl disulfide is a flavouring agent for baked goods, beverages and seasonings. Found in cocoa. Flavouring agent for baked goods, beverages and seasonings
2,3-Methyleneglutaric acid
2,3-Methyleneglutaric acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
4-Hydroxy-3a,4-dihydro-7aH-furo[2,3-b]pyran-2(3H)-one
5-Hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
5-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
Orotate
Orotic acid (6-Carboxyuracil), a precursor in biosynthesis of pyrimidine nucleotides and RNA, is released from the mitochondrial dihydroorotate dehydrogenase (DHODH) for conversion to UMP by the cytoplasmic UMP synthase enzyme. Orotic acid is a marker for measurement in routine newborn screening for urea cycle disorders. Orotic acid can induce hepatic steatosis and hepatomegaly in rats[1][2][3].
Orotic acid
A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6. Orotic acid (6-Carboxyuracil), a precursor in biosynthesis of pyrimidine nucleotides and RNA, is released from the mitochondrial dihydroorotate dehydrogenase (DHODH) for conversion to UMP by the cytoplasmic UMP synthase enzyme. Orotic acid is a marker for measurement in routine newborn screening for urea cycle disorders. Orotic acid can induce hepatic steatosis and hepatomegaly in rats[1][2][3].
m-Chlorobenzoic acid
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2,5-Furandicarboxylic acid
2,5-Furandicarboxylic acid, detected in human urine, is an important renewable biotechnological building block because it serves as an environmentally friendly substitute for terephthalic acid in the production of polyesters[1].
2,4-Dihydroxypyrimidine-5-carboxylic acid
2,4-Dihydroxypyrimidine-5-carboxylic Acid is an endogenous metabolite.
chloroxylenol
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D004202 - Disinfectants Same as: D03473 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4542; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4530; ORIGINAL_PRECURSOR_SCAN_NO 4528 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4525; ORIGINAL_PRECURSOR_SCAN_NO 4524 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4540; ORIGINAL_PRECURSOR_SCAN_NO 4537 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4552; ORIGINAL_PRECURSOR_SCAN_NO 4548
URACIL 5-CARBOXYLATE
2,4-Dihydroxypyrimidine-5-carboxylic Acid is an endogenous metabolite.
Dehydromucate
2,5-Furandicarboxylic acid, detected in human urine, is an important renewable biotechnological building block because it serves as an environmentally friendly substitute for terephthalic acid in the production of polyesters[1].
2-Methyl-1-propanesulfonyl chloride
C4H9ClO2S (156.00117640000002)
4,5-dimethylthiophene-3-carboxylic acid(SALTDATA: FREE)
1-Cyclohexene-1-carboxylicacid,4-hydroxy-3-oxo-,(S)-(9CI)
1H-Thieno[3,4-d]imidazol-2(3H)-one,4,6-dihydro-4-methyl-
1-CHLORO-3-(METHYLSULFONYL)PROPANE
C4H9ClO2S (156.00117640000002)
4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-6-oxo-2-thioxo-
Ethane,1-chloro-2-(ethylsulfonyl)-
C4H9ClO2S (156.00117640000002)
(1R,5S,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid
2-Thiophenecarboxylicacid,3-methyl-,hydrazide(9CI)
3-Thiophenecarboxylicacid,5-methyl-,hydrazide(9CI)
2-Chloro-5-fluoroisonicotinonitrile
C6H2ClFN2 (155.98905340000002)
Thiopyrano[3,2-c]pyrazol-3(5H)-one,1,2,6,7-tetrahydro-
Thiopyrano[2,3-c]pyrazol-3(2H)-one,1,4,5,6-tetrahydro-
2-chloro-1-(2-chloroethoxy)propane
C5H10Cl2O (156.01086700000002)
2-Oxabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (1R,4R,5R)- cinchonidine salt
P-[(1R,2R)-1,2-Dihydroxypropyl]-phosphonic Acid AMMoniuM Salt
5,6-Dihydroxycyclohexa-1,3-diene-1-carboxylic acid
(1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
(2Z,4E)-2-aminomuconate
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Phosphorothioic acid, S-(2-aminoethyl) ester
C2H7NO3PS- (155.98842620000002)
D020011 - Protective Agents > D011837 - Radiation-Protective Agents
[(2s)-3-Methyl-5-Oxo-2,5-Dihydrofuran-2-Yl]acetic Acid
4-Hydroxy-3,3a,4,6-tetrahydrouro[3,2-c]pyran-2-one
4-Chlorobenzoic acid
A monochlorobenzoic acid carrying a chloro substituent at position 4.
2-Chlorobenzoic acid
A monochlorobenzoic acid having the chloro group at the 2-position.
(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
(1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
(3R,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1-carboxylic acid
(2R)-3-sulfopropanediol
An alkanesulfonic acid obtained by the formal substitution of one of the methyl hydrogens of (2S)-propane-1,2-diol by a sulfonic acid group.
3-chlorobenzoic acid
A monochlorobenzoic acid carrying a chloro substituent at position 3. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(E)-ascladiol
A butenolide that is furan-2(5H)-one which is substituted by a hydroxymethyl group at position 4 and a 2-hydroxyethylidene group at position 5 (the 5E isomer). A direct precursor of patulin in cell-free preparations of Penicillium urticae patulin-minus mutants J1 and S11, but not S15.
(+)-isoepoxydon
A cyclic ketone that is (-)-phyllostine in which the carbonyl group which is furthest from the hydroxymethyl substituent has been formally reduced to give the corresponding secondary alcohol with S configuration. A metabolite of the patulin pathway in Penicillium urticae.
2-isopropylmaleate(2-)
Dicarboxylate anion of 2-isopropylmaleic acid; major species at pH 7.3.
cysteamine S-phosphate(2-)
C2H7NO3PS (155.98842620000002)
An organic phosphorothioate anion that is the conjugate base of cysteamine S-phosphate, obtained by deprotonation of the two free thiophosohate OH groups and protonation of the amino group.
2-Hydroxy-6-oxo-2,4-heptadienoic acid
An alpha,beta-unsaturated monocarboxylic acid that is 2,4-heptadienoic acid substituted by hydroxy and oxo groups at positions 2 and 6 respectively.
(2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid
A 2-hydroxy-6-oxohepta-2,4-dienoic acid which has 2Z,4E configuration.
(2Z,4E)-2-ammoniomuconate(1-)
A dicarboxylic acid monoanion that is the conjugate base of 2-aminomuconic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Furan-2,5-dicarboxylic acid
A member of the class of furans carrying two carboxy substituents at positions 2 and 5.
(1r,5r,6r)-5-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
(1s,5r,6s)-4,5-dihydroxy-3-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
(2s)-2,4-dimethyl-5-oxo-2h-furan-3-carboxylic acid
(3as,4r,7as)-4-hydroxy-3h,3ah,4h,7ah-furo[2,3-b]pyran-2-one
5-hydroxy-4-oxopyran-2-carboxylic acid
{"Ingredient_id": "HBIN011619","Ingredient_name": "5-hydroxy-4-oxopyran-2-carboxylic acid","Alias": "NA","Ingredient_formula": "C6H4O5","Ingredient_Smile": "C1=C(OC=C(C1=O)O)C(=O)O","Ingredient_weight": "156.09 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37447","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "68139","DrugBank_id": "NA"}
5-(methoxymethyl)-2-furoic acid
{"Ingredient_id": "HBIN011768","Ingredient_name": "5-(methoxymethyl)-2-furoic acid","Alias": "5-(methoxymethyl)furan-2-carboxylic acid; 5-Methoxymethyl-furan-2-carboxylic acid; BAS 01558170; 5-(methoxymethyl)-2-furancarboxylic acid; ST5254267","Ingredient_formula": "C7H8O4","Ingredient_Smile": "COCC1=CC=C(O1)C(=O)O","Ingredient_weight": "156.14 g/mol","OB_score": "30.23987558","CAS_id": "NA","SymMap_id": "SMIT04176","TCMID_id": "NA","TCMSP_id": "MOL001822","TCM_ID_id": "NA","PubChem_id": "1125227","DrugBank_id": "NA"}