Exact Mass: 174.0896138
Exact Mass Matches: 174.0896138
Found 500 metabolites which its exact mass value is equals to given mass value 174.0896138,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
L-Theanine
L-Theanine, also known as L-gamma-glutamylethylamide or N-gamma-ethyl-L-glutamine, is a member of the class of compounds known as glutamine and derivatives. These compounds contain glutamine or a derivative thereof resulting from a reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-Theanine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). L-Theanine can be found in saliva. The regulatory status of theanine varies by country. In Japan, L-theanine has been approved for use in all foods, including herb teas, soft drinks, and desserts. Restrictions apply to infant foods. In the United States, the Food and Drug Administration (FDA) considers it to be generally recognized as safe (GRAS) and allows its sale as a dietary supplement. The German Federal Institute for Risk Assessment, an agency of their Federal Ministry of Food and Agriculture, objects to the addition of L-theanine to beverages. The European Food Safety Authority EFSA advised negatively on health claims related to L-theanine and cognitive function, alleviation of psychological stress, maintenance of normal sleep, and reduction of menstrual discomfort. Therefore, health claims for L-theanine are prohibited in the European Union (Wikipedia). L-Theanine is found in mushrooms and is a constituent of tea (Thea sinensis) and of the fungus Imleria badia. L-Theanine has been shown to exhibit neuroprotectant and neuroprotective functions (PMID: 20416364, 20416364). N(5)-ethyl-L-glutamine is a N(5)-alkylglutamine where the alkyl group is ethyl. It has been isolated from green tea. It has a role as a neuroprotective agent, a plant metabolite and a geroprotector. It is a tautomer of a N(5)-ethyl-L-glutamine zwitterion. Theanine, a precursor of ethylamine, is found in green tea. It is under investigation in clinical trial NCT00291070 (Effects of L-Theanine in Boys With ADHD). See also: Green tea leaf (part of). Constituent of tea (Thea sinensis) and of the fungus Xerocomus badius (kostanjevka). L-Theanine is found in tea and mushrooms. A N(5)-alkylglutamine where the alkyl group is ethyl. It has been isolated from green tea. KEIO_ID E005 L-Theanine (L-Glutamic Acid γ-ethyl amide) is a non-protein amino acid contained in green tea leaves, which blocks the binding of L-glutamic acid to glutamate receptors in the brain, and with neuroprotective, anticancer and anti-oxidative activities. L-Theanine can pass through the blood–brain barrier and is orally active[1][2][3]. L-Theanine (L-Glutamic Acid γ-ethyl amide) is a non-protein amino acid contained in green tea leaves, which blocks the binding of L-glutamic acid to glutamate receptors in the brain, and with neuroprotective, anticancer and anti-oxidative activities. L-Theanine can pass through the blood–brain barrier and is orally active[1][2][3].
N-alpha-acetylornithine
N2-Acetylornithine, also known as N(alpha)-acetylornithine, belongs to the class of organic compounds known as N-acyl-L-alpha-amino acids. These are N-acylated alpha-amino acids which have the L-configuration of the alpha-carbon atom. N-Acetylornithine is a minor component of the deproteinized blood plasma of human blood. Human blood plasma contains a variable amount of acetylornithine, averaging 1.1 +/- 0.4 umol/L (range 0.8-0.2 umol/L). Urine contains a very small amount of acetylornithine, approximately 1 nmol/mg creatinine (1 umol/day) (PMID:508804). Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 160 KEIO_ID A032 N-Acetylornithine is an intermediate in the enzymatic biosynthesis of the amino acid L-arginine from L-glutamate.
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
Glycylvaline
Glycylvaline is a dipeptide composed of glycine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Glycyl-L-valine is a dipeptide that contains glycine and valine.
(S)-11,12,13-Trinor-7-calamenone
xi-11,12,13-Trinor-7-calamenone is found in root vegetables. xi-11,12,13-Trinor-7-calamenone is a constituent of Cyperus rotundus (nutgrass). Constituent of Cyperus rotundus (nutgrass). xi-11,12,13-Trinor-7-calamenone is found in root vegetables.
(R)-11,12,13-Trinor-1(5),6,9-guaiatrien-8-one
(R)-11,12,13-Trinor-1(5),6,9-guaiatrien-8-one is found in herbs and spices. (R)-11,12,13-Trinor-1(5),6,9-guaiatrien-8-one is isolated from Acorus calamus (sweet flag). Isolated from Acorus calamus (sweet flag). (R)-11,12,13-Trinor-1(5),6,9-guaiatrien-8-one is found in herbs and spices and root vegetables.
3-Methylpimelic acid
3-Methylpimelic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
6-Phenyl-3-hexen-2-one
6-Phenyl-3-hexen-2-one is found in beverages. 6-Phenyl-3-hexen-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002
Valylglycine
Valylglycine is a dipeptide composed of valine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
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.).
4,4'-Thiobis-2-butanone
4,4-Thiobis-2-butanone is a flavouring and perfumery ingredient. Flavouring and perfumery ingredient
4-Methyl-2-phenyl-2-pentenal
Present in aroma volatiles of roast filbert, tea, peppermint and krill seasoning. Ingredient of cocoa and chocolate-type flavours. 4-Methyl-2-phenyl-2-pentenal is found in many foods, some of which are herbs and spices, tea, crustaceans, and potato. 4-Methyl-2-phenyl-2-pentenal is found in crustaceans. 4-Methyl-2-phenyl-2-pentenal is present in aroma volatiles of roast filbert, tea, peppermint and krill seasoning. Ingredient of cocoa and chocolate-type flavours.
Hexanethioic acid S-propyl ester
Hexanethioic acid S-propyl ester is found in onion-family vegetables. Hexanethioic acid S-propyl ester is present in leek oil. Present in leek oil. Hexanethioic acid S-propyl ester is found in onion-family vegetables.
2,4-Dimethyladipic acid
2,4-Dimethyladipic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Gly-Norvaline
Gly-Norvaline, also known as Glycyl-DL-norvaline or Gly-DL-norvaline, is classified as a member of the dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Gly-Norvaline is considered to be slightly soluble (in water) and acidic. (ChemoSummarizer)
N5-Acetylornithine
N5-Acetylornithine, also known as N(delta)-acetylornithine, belongs to the class of organic compounds known as N-acyl-L-alpha-amino acids. These are N-acylated alpha-amino acids which have the L-configuration of the alpha-carbon atom. N5-Acetylornithine has been identified in the human placenta (PMID: 32033212).
(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.
N-Acetylornithine
N-Acetylornithine is an intermediate in the enzymatic biosynthesis of the amino acid L-arginine from L-glutamate.
(S)-(E)-2-Amino-4-(2-aminoethoxy)-3-butenoic acid|B,HCl-(S)-(E)-2-Amino-4-(2-aminoethoxy)-3-butenoic acid
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
Theanine
L-Theanine (L-Glutamic Acid γ-ethyl amide) is a non-protein amino acid contained in green tea leaves, which blocks the binding of L-glutamic acid to glutamate receptors in the brain, and with neuroprotective, anticancer and anti-oxidative activities. L-Theanine can pass through the blood–brain barrier and is orally active[1][2][3]. L-Theanine (L-Glutamic Acid γ-ethyl amide) is a non-protein amino acid contained in green tea leaves, which blocks the binding of L-glutamic acid to glutamate receptors in the brain, and with neuroprotective, anticancer and anti-oxidative activities. L-Theanine can pass through the blood–brain barrier and is orally active[1][2][3].
PRI_175.0866_12.2
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 1603
N-Acetyl-L-ornithine
N-acetylornithine, also known as n(delta)-acetylornithine, (dl)-isomer, is a member of the class of compounds known as N-acyl-l-alpha-amino acids. N-acyl-l-alpha-amino acids are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N-acetylornithine is soluble (in water) and a weakly acidic compound (based on its pKa). N-acetylornithine can be found in a number of food items such as common hazelnut, common verbena, welsh onion, and chicory roots, which makes N-acetylornithine a potential biomarker for the consumption of these food products. N-acetylornithine can be found primarily in blood, saliva, and urine, as well as in human prostate tissue. N-acetylornithine exists in all eukaryotes, ranging from yeast to humans. N-Acetylornithine is an intermediate in the enzymatic biosynthesis of the amino acid L-arginine from L-glutamate.
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.
Gly-val
A dipeptide formed from glycine and L-valine residues.
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].
L-Theanine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; DATAGRPVKZEWHA-YFKPBYRVSA-N_STSL_0206_L-Theanine_2000fmol_180831_S2_L02M02_06; 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-Acetyl-ornithine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; JRLGPAXAGHMNOL-LURJTMIESA-N_STSL_0227_N-Acetyl-ornithine_0500fmol_190114_S2_LC02MS02_048; 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.
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.
Val-gly
A dipeptide formed from L-valine and glycine residues.
Thiophene, 2,5-dihydro-2-methyl-4-(1-methylethyl)-, 1,1-dioxide (9CI)
Thiophene, 2,3-dihydro-5-methyl-2-(1-methylethyl)-, 1,1-dioxide (9CI)
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
2,2,4,4,5,5-hexamethyl-1,3-dioxa-2-silacyclopentane
rac trans-2-Phenylcyclopropylamine-d5 Hydrochloride
1-Methoxy-1-(Trimethylsiloxy)-2-Methyl-1-Propene
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
1,2-DIHYDRO-NAPHTHALENE-3-BORONIC ACID
C10H11BO2 (174.08520560000002)
(4,4-DIMETHYLCYCLOHEXA-1,5-DIENYL)BORONIC ACID MONOSODIUM SALT
(1-Aminoisoquinolin-6-yl)methanol, 1-Amino-6-(hydroxymethyl)-2-azanaphthalene
{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}acetaldehyde
(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)
Thiophene, 2,3-dihydro-5-methyl-4-(1-methylethyl)-, 1,1-dioxide (9CI)
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
L-Lysine, N6-formyl-
A non-proteinogenic L-alpha-amino acid that is the N(6)-formyl derivative of L-lysine.
METHYL(2R,3S)-2,3-O-ISOPROPYLIDENE-2,3-DIHYDROXYBUTYRATE
4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbonitrile
5-(Hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic acid
Acetylornithine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S)-2-[(2-ammonio-1-oxoethyl)amino]-3-methylbutanoate
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
N-Acetylornithine
N-Acetylornithine is an intermediate in the enzymatic biosynthesis of the amino acid L-arginine from L-glutamate.
N(2)-acetyl-L-ornithine zwitterion
An amino acid zwitterion of N(2)-acetyl-L-ornithine arising from migration of a proton from the carboxy group to the epsilon-amino group; major species at pH 7.3.
N(5)-Acetyl-L-ornithine
An N(5)-acyl-L-ornithine compound having acetyl as the acyl group.
Val-Gly zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Val-Gly.
N(2)-Acetyl-L-ornithine
An N(2)-acyl-L-ornithine where the acyl group is specified to be acetyl.
N(5)-ethyl-L-glutamine zwitterion
An amino acid zwitterion of N(5)-ethyl-L-glutamine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
1-[4-(1-methyl-2-propenyl) phenyl]-ethanone
{"Ingredient_id": "HBIN001327","Ingredient_name": "1-[4-(1-methyl-2-propenyl) phenyl]-ethanone","Alias": "NA","Ingredient_formula": "C12H14O","Ingredient_Smile": "CC(C=C)C1=CC=C(C=C1)C(=O)C","Ingredient_weight": "174.24 g/mol","OB_score": "34.47704216","CAS_id": "NA","SymMap_id": "SMIT13707","TCMID_id": "NA","TCMSP_id": "MOL013000","TCM_ID_id": "NA","PubChem_id": "594245","DrugBank_id": "NA"}
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"}
(2s)-2-amino-4-(ethyl-c-hydroxycarbonimidoyl)butanoic acid
(1s,2r,3r,4s,5r)-1-amino-8-azabicyclo[3.2.1]octane-2,3,4-triol
(4s,6s)-4-hydroxy-6-[(2s)-2-hydroxypropyl]oxan-2-one
(2s)-2-[(2-amino-1-hydroxyethylidene)amino]-3-methylbutanoic acid
(4s)-4-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-6-one
(2s)-2-amino-5-[(1-hydroxyethylidene)amino]pentanoic acid
2-amino-5-[(1-hydroxyethylidene)amino]pentanoic acid
(4r)-4-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-6-one
(2s)-5-amino-2-[(1-hydroxyethylidene)amino]pentanoic acid
methyl(1-methylquinolin-4-ylidene)oxidanium
[C11H12NO]+ (174.09188419999998)