Exact Mass: 174.0892
Exact Mass Matches: 174.0892
Found 315 metabolites which its exact mass value is equals to given mass value 174.0892,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Suberic acid
Suberic acid, also octanedioic acid, is a dicarboxylic acid, with formula C6H12(COOH)2. It is present in the urine of patients with fatty acid oxidation disorders (PMID 10404733). A metabolic breakdown product derived from oleic acid. Elevated levels of this unstaruated dicarboxylic acid are found in individuals with medium-chain acyl-CoA dehydrogenase deficiency (MCAD). Suberic acid is also found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, which are also inborn errors of metabolism. Isolated from the roots of Phaseolus vulgaris (kidney bean) CONFIDENCE standard compound; INTERNAL_ID 153 KEIO_ID S013 Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency. Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency.
Edaravone
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents > D000975 - Antioxidants COVID info from PDB, Protein Data Bank N - Nervous system Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Indole-3-acetamide
Indole-3-acetamide, also known as 2-(3-indolyl)acetamide or IAM, belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Indole-3-acetamide has been detected, but not quantified, in several different foods, such as Alaska wild rhubarbs, lingonberries, butternut squash, pineapples, and agaves. Indole-3-acetamide is also found in the common pea and has been isolated from the etiolated seedlings of the black gram (Phaseolus mungo). Isolated from etiolated seedlings of the black gram (Phaseolus mungo). 1H-Indole-3-acetamide is found in many foods, some of which are elderberry, barley, american cranberry, and herbs and spices. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids KEIO_ID I030 Indole-3-acetamide is a biosynthesis intermediate of indole-3-acetic acid (HY-18569). Indole-3-acetic acid is the most common natural plant growth hormone of the auxin class[1].
Dimethyl adipate
Dimethyl adipate belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Dimethyl adipate is a potentially toxic compound. Solvent/diluent for flavouring agents [CCD]
2-Propylglutaric acid
2-Propylglutaric acid is a metabolite of valproic acid. Valproic acid (VPA) is a chemical compound and an acid that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy, bipolar disorder, and, less commonly, major depression. It is also used to treat migraine headaches and schizophrenia. VPA is a liquid at room temperature, but it can be reacted with a base such as sodium hydroxide to form the salt sodium valproate, which is a solid. (Wikipedia)
Diethyl succinate
Diethyl succinate is a fatty acid ester. Diethyl succinate is a natural product found in Mimusops elengi, Opuntia ficus-indica, and other organisms with data available. Diethyl butanedioate is a metabolite found in or produced by Saccharomyces cerevisiae. Diethyl succinate, also known as diethyl butanedioate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives from a fatty acid. Flavour ingredient
3-Methylpimelic acid
3-Methylpimelic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Ethyladipic acid
Adipic acid (IUPAC systematic name: hexanedioic acid) is a chemical compound of the class of carboxylic acids. Adipic acid is prepared from various fats using oxidation.By far the main use of adipic acid is as monomer for the production of nylon by a polycondensation reaction with hexamethylene diamine forming 6,6-nylon, the most common form of nylon. --Wikipedia [HMDB] Adipic acid (IUPAC systematic name: hexanedioic acid) is a chemical compound of the class of carboxylic acids. Adipic acid is prepared from various fats using oxidation.By far the main use of adipic acid is as monomer for the production of nylon by a polycondensation reaction with hexamethylene diamine forming 6,6-nylon, the most common form of nylon. --Wikipedia.
Demethylated antipyrine
Demethylated antipyrine is a novel potent free radical scavenger that has been clinically used to reduce the neuronal damage following ischemic stroke. Demethylated antipyrine exerts neuroprotective effects by inhibiting endothelial injury and by ameliorating neuronal damage in brain ischemia. Demethylated antipyrine provides the desirable features of NOS: it increases eNOS (beneficial NOS for rescuing ischemic stroke) and decreases nNOS and iNOS (detrimental NOS). Post- reperfusion brain edema and hemorrhagic events induced by thrombolytic therapy may be reduced by demethylated antipyrine pretreatment. Increased productions of superoxide and NO in the brain after reperfusion and a concomitant surge in oxygen free radicals with increased NO during recirculation lead to formation of peroxynitrite, a super potent radical. Demethylated antipyrine, which inhibits oxidation and enhances NO production derived from increased eNOS expression, may improve and conserve cerebral blood flow without peroxynitrite generation during reperfusion. Clinical experience with demethylated antipyrine suggests that this drug has a wide therapeutic time window. Demethylated antipyrine can exert a wide range of inhibitory effects on water-soluble and lipid soluble peroxyl radical-induced peroxidation systems, and appears to display combined properties of both, vitamin C and E. Demethylated antipyrine can scavenge not only hydroxyl radicals but also other free radicals, although it has no major effect on superoxide anion radicals. Demethylated antipyrine apparently traps hydroxyl radicals and inhibits OH-dependent lipid peroxidation or tyrosine nitration induced by peroxynitrite (ONOO-). Lipid peroxidation starts with lipid radical (L) production after free radical-mediated extraction of proton from unsaturated fatty acid. Subsequently lipid peroxyl radical (LOO) is generated by addition of oxygen atom, and a further L is produced by LOO-mediated extraction of proton from another unsaturated fatty acid. Demethylated antipyrine can inhibit lipid peroxidation by scavenging not only hydroxyl radicals but also other free radicals including LOO. Under physiological conditions, 50\\% of demethylated antipyrine is present as an anion form, and electrons released from demethylated antipyrine anion exert radical scavenging. Subsequently, demethylated antipyrine radicals are generated. They react readily with oxygen atoms, and form peroxyl radical of demethylated antipyrine, and eventually 2-oxo-3-(phenylhydrazone)- butanoic acid (OPB). (PMID: 16834755, CNS Drug Rev. 2006 Spring;12(1):9-20.) [HMDB] Demethylated antipyrine is a novel potent free radical scavenger that has been clinically used to reduce the neuronal damage following ischemic stroke. Demethylated antipyrine exerts neuroprotective effects by inhibiting endothelial injury and by ameliorating neuronal damage in brain ischemia. Demethylated antipyrine provides the desirable features of NOS: it increases eNOS (beneficial NOS for rescuing ischemic stroke) and decreases nNOS and iNOS (detrimental NOS). Post- reperfusion brain edema and hemorrhagic events induced by thrombolytic therapy may be reduced by demethylated antipyrine pretreatment. Increased productions of superoxide and NO in the brain after reperfusion and a concomitant surge in oxygen free radicals with increased NO during recirculation lead to formation of peroxynitrite, a super potent radical. Demethylated antipyrine, which inhibits oxidation and enhances NO production derived from increased eNOS expression, may improve and conserve cerebral blood flow without peroxynitrite generation during reperfusion. Clinical experience with demethylated antipyrine suggests that this drug has a wide therapeutic time window. Demethylated antipyrine can exert a wide range of inhibitory effects on water-soluble and lipid soluble peroxyl radical-induced peroxidation systems, and appears to display combined properties of both, vitamin C and E. Demethylated antipyrine can scavenge not only hydroxyl radicals but also other free radicals, although it has no major effect on superoxide anion radicals. Demethylated antipyrine apparently traps hydroxyl radicals and inhibits OH-dependent lipid peroxidation or tyrosine nitration induced by peroxynitrite (ONOO-). Lipid peroxidation starts with lipid radical (L) production after free radical-mediated extraction of proton from unsaturated fatty acid. Subsequently lipid peroxyl radical (LOO) is generated by addition of oxygen atom, and a further L is produced by LOO-mediated extraction of proton from another unsaturated fatty acid. Demethylated antipyrine can inhibit lipid peroxidation by scavenging not only hydroxyl radicals but also other free radicals including LOO. Under physiological conditions, 50\\% of demethylated antipyrine is present as an anion form, and electrons released from demethylated antipyrine anion exert radical scavenging. Subsequently, demethylated antipyrine radicals are generated. They react readily with oxygen atoms, and form peroxyl radical of demethylated antipyrine, and eventually 2-oxo-3-(phenylhydrazone)- butanoic acid (OPB). (PMID: 16834755, CNS Drug Rev. 2006 Spring;12(1):9-20.).
2,4-Dimethyladipic acid
2,4-Dimethyladipic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
(E)-indol-3-ylacetaldoxime
(e)-indol-3-ylacetaldoxime is a member of the class of compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position (e)-indol-3-ylacetaldoxime is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (e)-indol-3-ylacetaldoxime can be found in a number of food items such as cherimoya, cornmint, blackcurrant, and common grape, which makes (e)-indol-3-ylacetaldoxime a potential biomarker for the consumption of these food products. (e)-indol-3-ylacetaldoxime is a member of the class of compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position (e)-indol-3-ylacetaldoxime is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (e)-indol-3-ylacetaldoxime can be found in a number of food items such as peppermint, wakame, sweet marjoram, and cashew nut, which makes (e)-indol-3-ylacetaldoxime a potential biomarker for the consumption of these food products.
3-Hydroxy-4-hydroxymethyl-4-pentenoic acid ethyl ester
edaravone
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents > D000975 - Antioxidants COVID info from PDB, Protein Data Bank N - Nervous system Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
PRI_175.0866_12.2
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 1603
Suberic acid
An alpha,omega-dicarboxylic acid that is the 1,6-dicarboxy derivative of hexane. Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency. Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency.
indole-3-acetamide
A member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA). D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids Indole-3-acetamide is a biosynthesis intermediate of indole-3-acetic acid (HY-18569). Indole-3-acetic acid is the most common natural plant growth hormone of the auxin class[1].
Suberate
Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency. Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency.
1-[4-(1H-1,2,4-triazol-1-yl)phenyl]methanamine(SALTDATA: HCl)
1-(5-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
rac trans-2-Phenylcyclopropylamine-d5 Hydrochloride
2,8-DIMETHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE
Methyl 4-(hydroxyMethyl)tetrahydro-2H-pyran-4-carboxylat
(4S,5R)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
(4,4-DIMETHYLCYCLOHEXA-1,5-DIENYL)BORONIC ACID MONOSODIUM SALT
(1-Aminoisoquinolin-6-yl)methanol, 1-Amino-6-(hydroxymethyl)-2-azanaphthalene
(S)-(+)-2-ISOCYANATO-3-TERT-BUTOXYPROPIONICACIDMETHYLESTER
C-[4-(3-FLUORO-PHENYL)-TETRAHYDRO-PYRAN-4-YL]-METHYLAMINE
(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)-(4-NITROPHENYL)AMINE
Ethanone, 1-(1-methyl-1H-benzimidazol-2-yl)- (9CI)
methyl (4s)-(+)-2,2-dimethyl-1,3-dioxolane-4-acetate
Pyrido[3,4-b]pyrazine, 8-amino-2,3-dimethyl- (6CI)
1,4-Diacetoxybutane
An acetate ester obtained by the formal condensation of the two hydroxy groups of butane-1,4-diol with two molecules of acetic acid
METHYL(2R,3S)-2,3-O-ISOPROPYLIDENE-2,3-DIHYDROXYBUTYRATE
4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbonitrile
Citrullinate
An alpha-amino acid anion that is the conjugate base of citrulline, obtained by deprotonation of the carboxy group.
(2E)-1,4-dimethoxybut-2-en-1-yl acetate
An olefinic compound that is but-2-en-1-yl acetate substituted by methoxy groups at positions 1 and 4 respectively.
(S)-2-amino-6-boronohexanoate
L-Norleucinate substituted at C-6 with a borono group.
(4S,5S)-4,5-Bis(methoxymethyl)-2-methylene-1,3-dioxolane
2-(1,4-dihydroxycyclohexanyl)-aceticacid
{"Ingredient_id": "HBIN003530","Ingredient_name": "2-(1,4-dihydroxycyclohexanyl)-aceticacid","Alias": "NA","Ingredient_formula": "C8H14O4","Ingredient_Smile": "C1CC(CCC1O)(CC(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5799","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,7-dihydroxy-5-octanolide
{"Ingredient_id": "HBIN007777","Ingredient_name": "3,7-dihydroxy-5-octanolide","Alias": "NA","Ingredient_formula": "C8H14O4","Ingredient_Smile": "CC(CC1CC(CC(=O)O1)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6055","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
