Exact Mass: 136.0796
Exact Mass Matches: 136.0796
Found 219 metabolites which its exact mass value is equals to given mass value 136.0796,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Tetrahydropteridine
Tetrahydrobiopterin serves well-characterized cofactor functions for hydroxylating aromatic amino acids and ether lipids and for formation of nitric oxide (NO) from L-arginine. Formation of NO involves two cycles of oxidation of Tetrahydrobiopterin to its radical with subsequent rehydroxylation into Tetrahydrobiopterin, one for reduction of the heme-bound arginine-Fe(II)O2 complex of NO synthase (NOS), the other for reduction of the N-hydroxy-L-arginine-Fe(II)O2 complex. Tetrahydrobiopterin-dependent glyceryl ether monooxygenase (EC 1.14.16.5) is found not only in liver and the gastrointestinal tract but also in brain and other organs (this enzyme plays an essential role in conjugation with the cleavage enzyme in the regulation of cellular levels of -alkyl moieties in glycerolipids). Tetrahydrobiopterin is essential for the enzymatic reaction of tyrosine 3-monooxygenase (EC 1.14.16.2) for the first step in the biosynthesis of catecholamines such as norepinephrine, epinephrine and dopamine. Limited Tetrahydrobiopterin availability not only decreases formation of NO but also causes NOS-derived superoxide/hydrogen peroxide production leading to formation of peroxynitrite as well as S-nitrosoglutathione. As a consequence of its oxygen-activating potential, Tetrahydrobiopterin is also subject to autoxidation in a free radical chain reaction in leading to formation of superoxide and finally to hydrogen peroxide. On the other hand, Tetrahydrobiopterin, like other H4-pterins, can scavenge reactive oxygen species and peroxynitrite. Thus, Tetrahydrobiopterin may have opposing effects in various biological systems depending on whether its cofactor roles outweigh its chemical reactivity or vice versa. Sepiapterin reductase (EC 1.1.1.153) catalyzes the reduction of tetrahydro-sepiapterin to tetrahydrobiopterin -the terminal step in this biosynthetic pathway for tetrahydrobiopterin. This reaction is N-acetyl-serotonin-sensitive and can completely inhibit tetrahydrobiopterin synthesis. (PMID: 3881214, 17303893, 3756924, 15223071) [HMDB] Tetrahydrobiopterin serves well-characterized cofactor functions for hydroxylating aromatic amino acids and ether lipids and for formation of nitric oxide (NO) from L-arginine. Formation of NO involves two cycles of oxidation of Tetrahydrobiopterin to its radical with subsequent rehydroxylation into Tetrahydrobiopterin, one for reduction of the heme-bound arginine-Fe(II)O2 complex of NO synthase (NOS), the other for reduction of the N-hydroxy-L-arginine-Fe(II)O2 complex. Tetrahydrobiopterin-dependent glyceryl ether monooxygenase (EC 1.14.16.5) is found not only in liver and the gastrointestinal tract but also in brain and other organs (this enzyme plays an essential role in conjugation with the cleavage enzyme in the regulation of cellular levels of -alkyl moieties in glycerolipids). Tetrahydrobiopterin is essential for the enzymatic reaction of tyrosine 3-monooxygenase (EC 1.14.16.2) for the first step in the biosynthesis of catecholamines such as norepinephrine, epinephrine and dopamine. Limited Tetrahydrobiopterin availability not only decreases formation of NO but also causes NOS-derived superoxide/hydrogen peroxide production leading to formation of peroxynitrite as well as S-nitrosoglutathione. As a consequence of its oxygen-activating potential, Tetrahydrobiopterin is also subject to autoxidation in a free radical chain reaction in leading to formation of superoxide and finally to hydrogen peroxide. On the other hand, Tetrahydrobiopterin, like other H4-pterins, can scavenge reactive oxygen species and peroxynitrite. Thus, Tetrahydrobiopterin may have opposing effects in various biological systems depending on whether its cofactor roles outweigh its chemical reactivity or vice versa. Sepiapterin reductase (EC 1.1.1.153) catalyzes the reduction of tetrahydro-sepiapterin to tetrahydrobiopterin -the terminal step in this biosynthetic pathway for tetrahydrobiopterin. This reaction is N-acetyl-serotonin-sensitive and can completely inhibit tetrahydrobiopterin synthesis. (PMID: 3881214, 17303893, 3756924, 15223071).
4-Propylphenol
4-Propylphenol is a flavouring ingredien Flavouring ingredient
6-Ethyl-o-cresol
6-Ethyl-o-cresol belongs to the family of Ortho Cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. 2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2]. 2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2].
2,3,6-Trimethylphenol
2,3,6-Trimethylphenol is a flavouring ingredien Flavouring ingredient
2,4,6-Trimethylphenol
2,4,6-Trimethylphenol 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 . 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
1,2-Diacylglycerol-LD-PE-pool
1,2-Diacylglycerol-LD-PE-pool, also known as Auxitrans or Hydrafuca, is classified as a member of the Primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). 1,2-Diacylglycerol-LD-PE-pool is considered to be soluble (in water) and relatively neutral A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives
2-Deoxy-D-ribitol
2-Deoxy-D-ribitol is found in herbs and spices. 2-Deoxy-D-ribitol is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). 2-Deoxy-D-ribitol is found in herbs and spices.
1-Deoxy-D-ribitol
1-Deoxy-D-xylitol is found in herbs and spices. 1-Deoxy-D-xylitol is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). 1-Deoxy-D-xylitol is found in herbs and spices.
3-Deoxy-D-arabinitol
3-Deoxy-D-arabinitol is found in herbs and spices. 3-Deoxy-D-arabinitol is a constituent of the fruit of Foeniculum vulgare (fennel)
3-Phenyl-1-propanol
Occurs in storax and fern balsamand is also present in Vaccinium subspecies fruits, guava fruit and peel, blackberry, other fruits, rum, white wine, shitake mushroom, matsutake mushroom and peated malt. Flavouring ingredient. 3-Phenyl-1-propanol is found in many foods, some of which are highbush blueberry, bilberry, mushrooms, and alcoholic beverages. 3-Phenyl-1-propanol is found in alcoholic beverages. 3-Phenyl-1-propanol occurs in storax and fern balsam. Also present in Vaccinium species fruits, guava fruit and peel, blackberry, other fruits, rum, white wine, shitake mushroom, matsutake mushroom and peated malt. 3-Phenyl-1-propanol is a flavouring ingredient.
2-Methylerythritol
2-C-methyl-D-erythritol is a soluble carbohydrate that is found in certain higher plants. In particular, it can be found in the petals, leaves and stems of certain flowering plants (PMID: 15384409). 2-Methylerythritol or 2-C-methyl-D-erythritol is likely a dephosphorylated form of 2-C-methyl-D-erythritol-4-phosphate. 2-C-methyl-D-erythritol-4-phosphate (MEP) is a central component to the non-mevalonate pathway for isoprenoid synthesis. This pathway is unique to certain gram negative and a few gram positive bacteria as well as plants and apicomplexan protozoa such as malaria parasites. Isoprenoid compounds are a diverse group of natural products that are essential components in all cells. Isoprenoids are biosynthesized from the simple precursors isopentenyl diphosphate (IPP) and dimethylallyl diphosphate (DMAPP). IPP and DMAPP serve as the basis for the biosynthesis of molecules used in processes as diverse as protein prenylation, cell membrane maintenance, hormones, protein anchoring and N-glycosylation. 2-Methylerythritol is occasionally found in human urine specimens and is believed to be from exogenous dietary sources (plant products, leafy salads) or possibly produced by certain species of gut microflora. 2-C-methyl-D-erythritol is a soluble carbohydrate that can be found in higher plants (PMID: 15384409) [HMDB]
2-Ethyl-5-methylphenol
2-Ethyl-5-methylphenol is found in cereals and cereal products. 2-Ethyl-5-methylphenol is a constituent of Angelica species. It is a metabolite of Penicillium species on barley. Constituent of Angelica subspecies Metabolite of Penicillium subspecies on barley. 2-Ethyl-5-methylphenol is found in cereals and cereal products.
(2-Methoxyethyl)benzene
(2-Methoxyethyl)benzene is a flavouring ingredient. It is isolated from the famine food Pandanus odoratissimu Flavouring ingredient. Isolated from the famine food Pandanus odoratissimus.
2-Isopropylphenol
2-Isopropylphenol, also known as O-cumenol or O-hydroxycumene, belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. 2-Isopropylphenol is a creosote, medicinal, and phenolic tasting compound. It has been detected in some species of the plant genus Haplopappus (PMID:10725607). Flavouring ingredient
4-Ethyl-2-methylphenol
4-Ethyl-2-methylphenol is found in coffee and coffee products. 4-Ethyl-2-methylphenol is a constituent of coffee. Constituent of coffee. 4-Ethyl-2-methylphenol is found in coffee and coffee products.
3-Ethyl-5-methylphenol
3-Ethyl-5-methylphenol is found in cereals and cereal products. 3-Ethyl-5-methylphenol is isolated from grains of wild rice (Zizania aquatica). Isolated from grains of wild rice (Zizania aquatica). 3-Ethyl-5-methylphenol is found in cereals and cereal products.
p-Isopropylphenol
p-Isopropylphenol is found in cumin. p-Isopropylphenol occurs in oil of Eucalyptus sp. [CCD Occurs in oil of Eucalyptus species [CCD]. p-Isopropylphenol is found in cumin.
(±)-1-(4-Methylphenyl)ethanol
(±)-1-(4-methylphenyl)ethanol is a member of the class of compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group (±)-1-(4-methylphenyl)ethanol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (±)-1-(4-methylphenyl)ethanol can be found in green vegetables, which makes (±)-1-(4-methylphenyl)ethanol a potential biomarker for the consumption of this food product. xi-1-(4-Methylphenyl)ethanol is found in green vegetables. xi-1-(4-Methylphenyl)ethanol is isolated from rhizomes of Curcuma domestica.
3-Ethyl-4-methylphenol
3-Ethyl-4-methylphenol is found in cereals and cereal products. 3-Ethyl-4-methylphenol is a constituent of wild rice grains (Zizania aquatica). Constituent of wild rice grains (Zizania aquatica). 3-Ethyl-4-methylphenol is found in cereals and cereal products.
2-Ethyl-4-methylphenol
Constituent of coffee and hops. 2-Ethyl-4-methylphenol is found in cereals and cereal products and coffee and coffee products. 2-Ethyl-4-methylphenol is found in cereals and cereal products. 2-Ethyl-4-methylphenol is a constituent of coffee and hops.
1-Phenyl-1-propanol
(±)-1-Phenyl-1-propanol is a flavouring ingredien It is used as a food additive . 1-Phenyl-1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. 1-Phenyl-1-propanol is an intermediate of anti-depressant agent Fluoxetine[1][2].
Benzyl ethyl ether
Benzyl ethyl ether is found in cocoa and cocoa products. Benzyl ethyl ether is present in cocoa. Benzyl ethyl ether is a flavouring agent Present in cocoa. Flavouring agent. Benzyl ethyl ether is found in cocoa and cocoa products. (Ethoxymethyl)benzene is an endogenous metabolite.
2-Phenyl-1-propanol
(±)-2-Phenyl-1-propanol is a flavouring agent Flavouring agent
1-Methoxy-2,4-dimethylbenzene
1-Methoxy-2,4-dimethylbenzene is found in milk and milk products. 1-Methoxy-2,4-dimethylbenzene is a food addiitive listed in the EAFUS food Additive Database (Jan 2001). 1-Methoxy-2,4-dimethylbenzene is found in camembert cheese. 1-Methoxy-2,4-dimethylbenzene is a food flavou
Nona-2,4,6-trienal
Nona-2,4,6-trienal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Propylphenol
2-Propylphenol is a flavouring ingredien Flavouring ingredient
2-(1-Pentenyl)furan
Component of reversion flavour in soybean oil. Aroma volatile of cooked pork and boiled potato. 2-(1-Pentenyl)furan is found in fats and oils, animal foods, and potato. 2-(1-Pentenyl)furan is found in animal foods. 2-(1-Pentenyl)furan is a component of reversion flavour in soybean oil. Aroma volatile of cooked pork and boiled potato.
2,3,5-Trimethylphenol
2,3,5-trimethylphenol, also known as 1-hydroxy-2,3,5-trimethylbenzene or isopseudocumenol, is a member of the class of compounds known as ortho cresols. Ortho cresols are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. 2,3,5-trimethylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,3,5-trimethylphenol can be synthesized from 1,2,4-trimethylbenzene. 2,3,5-trimethylphenol can also be synthesized into 2,3,5-trimethylphenyl methylcarbamate. 2,3,5-trimethylphenol can be found in arabica coffee, which makes 2,3,5-trimethylphenol a potential biomarker for the consumption of this food product.
Mesitol
2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
Ethanone, 1-(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl-,rel
Pyrimido[5,4-d]pyrimidine, 1,2,3,4-tetrahydro- (8CI)
α-Cumyl alcohol
Alpha,alpha-dimethylbenzyl alcohol, also known as 2-phenyl-2-propanol or alpha-cumyl alcohol, is a member of the class of compounds known as phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. Alpha,alpha-dimethylbenzyl alcohol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Alpha,alpha-dimethylbenzyl alcohol can be found in pot marjoram, which makes alpha,alpha-dimethylbenzyl alcohol a potential biomarker for the consumption of this food product.
1H-Imidazo[4,5-b]pyridin-2-amine,5,6-dihydro-(9CI)
PENTAERYTHRITOL
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives
phenyl propanol
1-Phenyl-1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. 1-Phenyl-1-propanol is an intermediate of anti-depressant agent Fluoxetine[1][2].
1687-64-5
2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2]. 2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2].
Mesity alcohol
2,4,6-trimethylphenol is a member of the class of compounds known as para cresols. Para cresols are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4. 2,4,6-trimethylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,4,6-trimethylphenol has a mild and phenolic taste. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
2-Methylerythritol
A tetritol that is erythritol substituted by a methyl group at position 2.
2-Phenylpropan-2-ol
A tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group.
2-Propylphenol
A member of the class of phenols that is phenol which is substituted by a propyl group at position 2.
2,4,6-TRIMETHYLPHENOL
2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
(2E,4E,6E)-nonatrienal
A nona-2,4,6-trienal in which all three double bonds adopt trans-configurations.
(2E,4E,6Z)-nonatrienal
A nona-2,4,6-trienal in which the double bonds at positions 2 and 4 adopt trans-configuration and the double bond at position 6 adopts cis-configuration.
1-deoxy-d-lyxitol
{"Ingredient_id": "HBIN002478","Ingredient_name": "1-deoxy-d-lyxitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(C(C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15001","TCMID_id": "5191","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-deoxy-d-xylitol
{"Ingredient_id": "HBIN002480","Ingredient_name": "1-deoxy-d-xylitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(C(C(CO)O)O)O","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5219","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10796790","DrugBank_id": "NA"}
1-deoxy-l-arabinitol
{"Ingredient_id": "HBIN002483","Ingredient_name": "1-deoxy-l-arabinitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(C(C(CO)O)O)O","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5153","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "90146781","DrugBank_id": "NA"}
1-deoxyxylitol
{"Ingredient_id": "HBIN002490","Ingredient_name": "1-deoxyxylitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "NA","Ingredient_weight": "136.15","OB_score": "NA","CAS_id": "68832-17-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9216","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-Hydroxyethyl)norbornadiene
{"Ingredient_id": "HBIN003576","Ingredient_name": "2-(1-Hydroxyethyl)norbornadiene","Alias": "NA","Ingredient_formula": "C9H12O","Ingredient_Smile": "CC(C1=CC2CC1C=C2)O","Ingredient_weight": "136.19 g/mol","OB_score": "81.65071648","CAS_id": "NA","SymMap_id": "SMIT13596","TCMID_id": "NA","TCMSP_id": "MOL012870","TCM_ID_id": "NA","PubChem_id": "548766","DrugBank_id": "NA"}
2,6,6-Trimethylcyclohexa-2,4-dienone
{"Ingredient_id": "HBIN004855","Ingredient_name": "2,6,6-Trimethylcyclohexa-2,4-dienone","Alias": "EINECS 236-800-3; 2,6,6-trimethylcyclohexa-2,4-dien-1-one; 2,4-cyclohexadien-1-one, 2,6,6-trimethyl-; InChI=1/C9H12O/c1-7-5-4-6-9(2,3)8(7)10/h4-6H,1-3H; 2,6,6-trimethyl-1-cyclohexa-2,4-dienone; 13487-30-4","Ingredient_formula": "C9H12O","Ingredient_Smile": "CC1=CC=CC(C1=O)(C)C","Ingredient_weight": "136.19","OB_score": "75.49009988","CAS_id": "13487-30-4","SymMap_id": "SMIT07436","TCMID_id": "NA","TCMSP_id": "MOL005713","TCM_ID_id": "NA","PubChem_id": "83528","DrugBank_id": "NA"}
2-c-methyl-d-erythritol
{"Ingredient_id": "HBIN005463","Ingredient_name": "2-c-methyl-d-erythritol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(CO)(C(CO)O)O","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14412","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113829","DrugBank_id": "NA"}
2-deoxy-d-ribitol1
{"Ingredient_id": "HBIN005526","Ingredient_name": "2-deoxy-d-ribitol1","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "C(CO)C(C(CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15004","TCMID_id": "5207","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β- alcohol resin
{"Ingredient_id": "HBIN017958","Ingredient_name": "\u03b2- alcohol resin","Alias": "NA","Ingredient_formula": "C9H12O","Ingredient_Smile": "CC(CO)C1=CC=CC=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42676","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
