Exact Mass: 136.0696
Exact Mass Matches: 136.0696
Found 206 metabolites which its exact mass value is equals to given mass value 136.0696
,
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).
phenylurea
CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5795; ORIGINAL_PRECURSOR_SCAN_NO 5793 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1376; ORIGINAL_PRECURSOR_SCAN_NO 1371 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1366; ORIGINAL_PRECURSOR_SCAN_NO 1365 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5837; ORIGINAL_PRECURSOR_SCAN_NO 5833 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1367; ORIGINAL_PRECURSOR_SCAN_NO 1364 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5835; ORIGINAL_PRECURSOR_SCAN_NO 5832
N-Methylnicotinamide
N-methylnicotinamide is a pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. N-methylnicotinamide is a metabolite of niacin (or nicotinamide) and is commonly found in human urine. However low levels of urinary excretion of N-methylnicotinamide indicates niacin deficiency. (PMID:16207585). In patients with liver cirrhosis nicotinamide methylation is increased leading to a rise in urinary N-methylnicotinamide. The hyperfunction of this methylating pathway might play a protective role against the toxic effect of intracellular accumulation of nicotinamide deriving from the catabolic state of cirrhosis. N-methylnicotinamide is known to inhibit choline transport and reduce choline clearance out of the brain. N-methylnicotinamide has been found to be a microbial metabolite. N-methylnicotinamide is a metabolite of niacin (or nicotinamide) and is commonly found in human urine. However low levels of urinary excretion of N-methylnicotinamide indicates niacin deficiency. (PMID: 16207585). In patients with liver cirrhosis nicotinamide methylation is increased leading to a rise in urinary N-methylnicotinamide. The hyperfunction of this methylating pathway might play a protective role against the toxic effect of intracellular accumulation of nicotinamide deriving from the catabolic state of cirrhosis. N-methylnicotinamide is known to inhibit choline transport and reduce choline clearance out of the brain. [HMDB] A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AB - Preparations for biliary tract therapy N-Methylnicotinamide is an endogenous metabolite. N-Methylnicotinamide is an endogenous metabolite.
2-Aminobenzamide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents Acetaldehyde scavenger for polyethylene beverage bottles. Acetaldehyde scavenger for polyethylene beverage bottles D004396 - Coloring Agents > D005456 - Fluorescent Dyes
2-Methylnicotinamide
2-Methylnicotinamide is a member of the class of compounds known as nicotinamides. Nicotinamides are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. 2-methylnicotinamide is soluble (in water) and a very weakly acidic compound (based on its pKa).
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)
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]
1,2-Diacylglycerol-Bile-PC-pool
1,2-Diacylglycerol-Bile-PC-pool, also known as 1-Phenylurea or amino-N-Phenylamide, is classified as a member of the N-phenylureas. N-phenylureas are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. 1,2-Diacylglycerol-Bile-PC-pool is considered to be slightly soluble (in water) and acidic
2-Acetyl-3-methylpyrazine
2-Acetyl-3-methylpyrazine is found in cereals and cereal products. Aroma constituent of spiny lobster (Panulirus argus) roasted sesame see
4-Acetyl-2-methylpyrimidine
4-Acetyl-2-methylpyrimidine is found in animal foods. 4-Acetyl-2-methylpyrimidine is a flavouring ingredient. 4-Acetyl-2-methylpyrimidine is present in cooked meats. 4-Acetyl-2-methylpyrimidine is a flavouring ingredient. It is found in cooked meats and other animal foods.
6-Methylnicotinamide
6-Methylnicotinamide, a derivate of nicotinamide, is an endogenous metabolite. A sudden increase of 6-methylnicotinamide in the acute stages of intracerebral hemorrhage (ICH) exacerbates neurological damages[1].
3-aminobenzamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D011838 - Radiation-Sensitizing Agents D020011 - Protective Agents D004791 - Enzyme Inhibitors
4-Aminobenzamide
CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5795; ORIGINAL_PRECURSOR_SCAN_NO 5793 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1367; ORIGINAL_PRECURSOR_SCAN_NO 1364 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1366; ORIGINAL_PRECURSOR_SCAN_NO 1365 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1380; ORIGINAL_PRECURSOR_SCAN_NO 1377 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1367; ORIGINAL_PRECURSOR_SCAN_NO 1364 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1353; ORIGINAL_PRECURSOR_SCAN_NO 1351 CONFIDENCE standard compound; INTERNAL_ID 2762 CONFIDENCE standard compound; INTERNAL_ID 8659 CONFIDENCE standard compound; INTERNAL_ID 8114 CONFIDENCE standard compound; INTERNAL_ID 4136
(E)-3-(1H-Pyrrol-3-yl)-2-propensaeureamid|(E)-3-(1H-pyrrol-3-yl)prop-2-enamide|Amide-(E)-3-(1H-Pyrrol-3-yl)-2-propencic acid
N-Methylnicotinamide
A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AB - Preparations for biliary tract therapy A pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ZYVXHFWBYUDDBM-UHFFFAOYSA-N_STSL_0209_N-Methylnicotinamide_0031fmol_180831_S2_L02M02_80; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. N-Methylnicotinamide is an endogenous metabolite. N-Methylnicotinamide is an endogenous metabolite.
Pyrimido[5,4-d]pyrimidine, 1,2,3,4-tetrahydro- (8CI)
2-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBONITRILE
1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbaldehyde
Pyrrolo[1,2-a]pyrimidin-6(2H)-one, 3,4-dihydro- (9CI)
1H-Imidazo[4,5-b]pyridin-2-amine,5,6-dihydro-(9CI)
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbaldehyde
N-Hydroxybenzenecarboximidamide
A member of the class of amidoximes obtained by formal condensation of the carbonyl group of benzamide with hydroxylamine.
PENTAERYTHRITOL
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives
Felosan
A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AB - Preparations for biliary tract therapy N-Methylnicotinamide is an endogenous metabolite. N-Methylnicotinamide is an endogenous metabolite.
2-Methylerythritol
A tetritol that is erythritol substituted by a methyl group at position 2.
Anthranilamide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
2-methylnicotinamide
A pyridinecarboxamide that is nicotinamide substituted by a methyl group at C-2.
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-amino-4,5-dimethyl-3-furonitrile
{"Ingredient_id": "HBIN005307","Ingredient_name": "2-amino-4,5-dimethyl-3-furonitrile","Alias": "NA","Ingredient_formula": "C7H8N2O","Ingredient_Smile": "CC1=C(OC(=C1C#N)N)C","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "290220","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"}
4-aminobenzaldoxime
{"Ingredient_id": "HBIN010217","Ingredient_name": "4-aminobenzaldoxime","Alias": "4-aminobenzaldehyde oxime; (NE)-N-[(4-aminophenyl)methylidene]hydroxylamine","Ingredient_formula": "C7H8N2O","Ingredient_Smile": "C1=CC(=CC=C1C=NO)N","Ingredient_weight": "136.15","OB_score": "24.59687873","CAS_id": "3419-18-9","SymMap_id": "SMIT13154","TCMID_id": "NA","TCMSP_id": "MOL012397","TCM_ID_id": "NA","PubChem_id": "6504367","DrugBank_id": "NA"}