Exact Mass: 145.0527612
Exact Mass Matches: 145.0527612
Found 500 metabolites which its exact mass value is equals to given mass value 145.0527612,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Indole-3-carboxaldehyde
Indole-3-carboxaldehyde (IAld or I3A), also known as 3-formylindole or 3-indolealdehyde, belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. In humans, I3A is a biologically active metabolite which acts as a receptor agonist at the aryl hydrocarbon receptor in intestinal immune cells. It stimulates the production of interleukin-22 which facilitates mucosal reactivity (PMID:27102537). I3A is a microbially derived tryptophan metabolite produced by Clostridium and Lactobacillus (PMID:30120222, 27102537). I3A has also been found in the urine of patients with untreated phenylketonuria (PMID:5073866). I3A has been detected, but not quantified, in several different foods, such as beans, Brussels sprouts, cucumbers, cereals and cereal products, and white cabbages. This could make I3A a potential biomarker for the consumption of these foods. Indole-3-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. It has a role as a plant metabolite, a human xenobiotic metabolite, a bacterial metabolite and a marine metabolite. It is a heteroarenecarbaldehyde, an indole alkaloid and a member of indoles. Indole-3-carboxaldehyde is a natural product found in Euphorbia hirsuta, Derris ovalifolia, and other organisms with data available. A heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. Found in barley and tomato seedlings and cotton Indole-3-carboxaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=487-89-8 (retrieved 2024-07-02) (CAS RN: 487-89-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
4-Acetamidobutanoate
4-Acetamidobutanoic acid, also known as 4-acetamidobutanoate or N-acetyl-4-aminobutyric acid, is a member of the class of compounds known as gamma amino acids and derivatives. These compounds are amino acids having an -NH2 group attached to the gamma carbon atom. 4-Acetamidobutanoic acid is soluble in water. 4-Acetamidobutanoic acid can be found in a number of food items such as Rubus species (blackberry, raspberry), cassava, pepper (Capsicum frutescens), and napa cabbage, which makes 4-acetamidobutanoic acid a potential biomarker for the consumption of these food products. 4-Acetamidobutanoic acid can be found in blood, feces, and urine, as well as in human prostate tissue. 4-Acetamidobutanoic acid exists in all eukaryotes, ranging from yeast to humans. 4-Acetamidobutanoic acid is a GABA derivative, a product of the urea cycle and the metabolism of amino groups, and the product of NAD-linked aldehyde dehydrogenase (EC 1.2.1.3) (KEGG). 4-Acetamidobutanoic acid is a GABA derivative, product of the Urea cycle and metabolism of amino groups, the product of NAD-linked aldehyde dehydrogenase (EC 1.2.1.3) (KEGG) [HMDB]. 4-Acetamidobutanoic acid is found in many foods, some of which are custard apple, japanese walnut, shiitake, and oxheart cabbage. 4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1]. 4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1]. 4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1].
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid, also known as gamma-guanidinobutyrate or 4-(carbamimidamido)butanoate, belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. 4-Guanidinobutanoic acid is a normal metabolite present in low concentrations. 4-Guanidinobutanoic acid exists in all eukaryotes, ranging from yeast to humans. Outside of the human body, 4-Guanidinobutanoic acid has been detected, but not quantified in a few different foods, such as apples, french plantains, and loquats. This could make 4-guanidinobutanoic acid a potential biomarker for the consumption of these foods. Patients with hyperargininemia have an arginase deficiency which leads to blockade of the urea cycle in the last step with several clinical symptoms. Owing to the arginase deficiency this patients accumulate arginine which leads eventually to epileptogenic guanidino compounds (PMID 7752905). 4-guanidinobutanoic acid, also known as gamma-guanidinobutyrate or 4-(carbamimidamido)butanoate, belongs to gamma amino acids and derivatives class of compounds. Those are amino acids having a (-NH2) group attached to the gamma carbon atom. 4-guanidinobutanoic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-guanidinobutanoic acid can be found in apple, french plantain, and loquat, which makes 4-guanidinobutanoic acid a potential biomarker for the consumption of these food products. 4-guanidinobutanoic acid can be found primarily in blood, cerebrospinal fluid (CSF), and urine, as well as in human prostate tissue. 4-guanidinobutanoic acid exists in all eukaryotes, ranging from yeast to humans. Moreover, 4-guanidinobutanoic acid is found to be associated with cirrhosis. CONFIDENCE standard compound; ML_ID 15 KEIO_ID G032 4-Guanidinobutanoic acid is a normal metabolite present in low concentrations. 4-Guanidinobutanoic acid is a normal metabolite present in low concentrations.
Oxyquinoline
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AC - Quinoline derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AH - Quinoline derivatives R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent CONFIDENCE standard compound; ML_ID 55
quinolone
KEIO_ID Q001 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 52 CONFIDENCE standard compound; INTERNAL_ID 2491
4-Hydroxyquinoline
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 53 CONFIDENCE standard compound; INTERNAL_ID 2492 KEIO_ID H139
1-Hydroxyisoquinoline
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 70 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Allysine
Allysine (CAS: 1962-83-0), also known as 2-amino-6-oxohexanoic acid or 6-oxonorleucine, belongs to the class of organic compounds known as alpha-amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Outside of the human body, allysine has been detected, but not quantified in, several different foods, such as winged beans, wasabi, common verbena, arrowhead, and oats. This could make allysine a potential biomarker for the consumption of these foods. Allysine is a derivative of lysine used in the production of elastin and collagen. It is produced by the actions of the enzyme lysyl oxidase in the extracellular matrix and is essential in the crosslink formation that stabilizes collagen and elastin.
2-Keto-glutaramic acid
deaminated metabolite of glutamine in csf of patients with hepatic coma; intermediate in the detoxification of ammonia in brain; structure [HMDB] deaminated metabolite of glutamine in csf of patients with hepatic coma; intermediate in the detoxification of ammonia in brain; structure.
2-Keto-6-aminocaproate
2-Keto-6-aminocaproate is an intermediate in lysine degradation and can be formed from L-lysine. L-Lysine is an essential amino-acid that is a necessary building block for all protein in the body. L-Lysine plays a major role in calcium absorption; building muscle protein; recovering from surgery or sports injuries; and the bodys production of hormones, enzymes, and antibodies. L-Lysine can be converted to 2-keto-6-aminocaproate via the enzyme L-lysine alpha-oxidase. 2-Keto-6-aminocaproate can spontaneously decarboxylate to 5-aminovalerate in the presence of the reaction product, hydrogen peroxide. It can also be spontaneously converted in solution to its cyclic form delta-piperideine-2-carboxylate. This has been demonstrated in vitro in the presence of catalase, which splits hydrogen peroxide. [HMDB] 2-Keto-6-aminocaproate is an intermediate in lysine degradation and can be formed from L-lysine. L-Lysine is an essential amino-acid that is a necessary building block for all protein in the body. L-Lysine plays a major role in calcium absorption; building muscle protein; recovering from surgery or sports injuries; and the bodys production of hormones, enzymes, and antibodies. L-Lysine can be converted to 2-keto-6-aminocaproate via the enzyme L-lysine alpha-oxidase. 2-Keto-6-aminocaproate can spontaneously decarboxylate to 5-aminovalerate in the presence of the reaction product, hydrogen peroxide. It can also be spontaneously converted in solution to its cyclic form delta-piperideine-2-carboxylate. This has been demonstrated in vitro in the presence of catalase, which splits hydrogen peroxide.
(S)-5-Amino-3-oxohexanoate
S)-5-Amino-3-oxohexanoate is an intermediate in lysine degradation. L-Lysine is an essential amino acid that is a necessary building block for all protein in the body and It plays a major role in calcium absorption; building muscle protein; recovering from surgery or sports injuries; and the bodys production of hormones, enzymes, and antibodies. In lysine degradation pathway, (S)-5-Amino-3-oxohexanoate is a substrate for the enzyme L-erythro-3,5-diaminohexanoate dehydrogenase (EC 1.4.1.11) and can be generated from L-erythro-3,5-Diaminohexanoate. [HMDB] (S)-5-Amino-3-oxohexanoate is an intermediate in lysine degradation. L-Lysine is an essential amino acid that is a necessary building block for all protein in the body and It plays a major role in calcium absorption; building muscle protein; recovering from surgery or sports injuries; and the bodys production of hormones, enzymes, and antibodies. In lysine degradation pathway, (S)-5-Amino-3-oxohexanoate is a substrate for the enzyme L-erythro-3,5-diaminohexanoate dehydrogenase (EC 1.4.1.11) and can be generated from L-erythro-3,5-Diaminohexanoate.
Isobutyrylglycine
Isobutyrylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine. Isobutyrylglycine is identified in large amount in urine of patients with isobutyryl-CoA dehydrogenase deficiency. Isobutyryl-CoA dehydrogenase deficiency is a disorder caused by the deficiency of isobutyryl-CoA dehydrogenase that is involved in the catabolism of the branched-chain amino acid valine (PMID 15505379). Moreover, Isobutyrylglycine is found to be associated with ethylmalonic encephalopathy and propionic acidemia, which are also inborn errors of metabolism. Isobutyrylglycine is a biomarker for the consumption of cheese. Isobutyrylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:
Butyrylglycine
N-Butyrylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism, such as ethylmalonic encephalopathy. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13), which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine amino acids composed of glycine substituted at the nitrogen rather than the usual carbon position, resulting in the loss of hydrogen bonding donors. Polymers of these compounds are called Peptoids. N-Butyrylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:
L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid
(2R,4S)-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid is found in fruits. (2R,4S)-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid is a constituent of the seeds of Eriobotrya japonica (loquat). Constituent of the seeds of Eriobotrya japonica (loquat). (2R,4S)-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid is found in fruits.
L-trans-5-Hydroxy-2-piperidinecarboxylic acid
L-cis-5-Hydroxy-2-piperidinecarboxylic acid is found in fruits. L-cis-5-Hydroxy-2-piperidinecarboxylic acid is present in the leaves of Morus alba (white mulberry
Methyl aminolevulinate
Methyl aminolevulinate is only found in individuals that have used or taken this drug. It is a prodrug that is metabolised to Protoporphyrin IX (a photosensitizer) used in photodynamic therapy.Photosensitization following application of methyl aminolevulinate cream occurs through the metabolic conversion of methyl aminolevulinate (prodrug) to photoactive porphyrins (PAP), which accumulates in the skin lesions to which the cream has been applied. When exposed to light of appropriate wavelength and energy, the accumulated photoactive porphyrins produce a photodynamic reaction, resulting in a cytotoxic process dependent upon the simultaneous presence of oxygen. The absorption of light results in an excited state of porphyrin molecules, and subsequent spin transfer from photoactive porphyrins to molecular oxygen generates singlet oxygen, which can further react to form superoxide and hydroxyl radicals. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XD - Sensitizers used in photodynamic/radiation therapy D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents C1420 - Photosensitizing Agent D003879 - Dermatologic Agents
N-(2-Carboxymethyl)-morpholine
N-(2-Carboxymethyl)-morpholine is a metabolite of mycophenolate mofetil. Mycophenolate mofetil (MMF) (brand names CellCept, Myfortic) is an immunosuppressant and prodrug of mycophenolic acid, used extensively in transplant medicine. It is a reversible inhibitor of inosine monophosphate dehydrogenase (IMPDH) in purine biosynthesis which is necessary for the growth of T cells and B cells. Other cells are able to recover purines via a separate, scavenger, pathway and are, thus, able to escape the effect. MMF is a less toxic alternative to azathioprine. (Wikipedia)
N-Propionylalanine
N-propionylalanine is classified as a member of the 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-propionylalanine is considered to be a slightly soluble (in water) and a weak acidic compound. N-propionylalanine can be found in humans.
6-Hydroxy-5-fluorocytosine
C4H4FN3O2 (145.02875360000002)
L-2-Amino-6-oxohexanoic acid
Found in collagen, elastin and heart muscle
2-aceto-2-hydroxy-butanoate
2-aceto-2-hydroxy-butanoate is soluble (in water) and a weakly acidic compound (based on its pKa). 2-aceto-2-hydroxy-butanoate can be found in a number of food items such as white cabbage, pistachio, pepper (c. frutescens), and yautia, which makes 2-aceto-2-hydroxy-butanoate a potential biomarker for the consumption of these food products.
trans-4-Hydroxy-N-methyl-L-proline
4-Hydroxyhygric acid is a compound isolated from leaves of five species of the leguminous tropical tree Copuiferq. 4-Hydroxyhygric acid is the inhibitor of larval development of the seed-feeding bruchid beetle Callosobruchus maculatus and to have significant feeding deterrence of the leaf-feeding lepidopteran Spodoprera littoralis[1].
4-Guanidinobutanoic acid
The 4-guanidino derivative of butanoic acid. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; TUHVEAJXIMEOSA-UHFFFAOYSA-N_STSL_0214_4-Guanidinobutanoic acid_0031fmol_190326_S2_LC02MS02_086; 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. 4-Guanidinobutanoic acid is a normal metabolite present in low concentrations. 4-Guanidinobutanoic acid is a normal metabolite present in low concentrations.
N-acetyl-GABA
4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1]. 4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1]. 4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1].
1,4-Lactone-(2S,3S,4R)-2,3,5-Triamino-4-hydroxypentanoic acid
1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
hydroxypipecolic acid
N-hydroxypipecolic acid is an N-hydroxy-alpha-amino-acid resulting from the formal N-hydroxylation of the amino group of piperidine-carboxylic acid (pipecolic acid). It is a N-hydroxy-alpha-amino-acid and a piperidinemonocarboxylic acid. It is functionally related to a pipecolic acid. N-Hydroxypipecolic acid (1-Hydroxy-2-piperidinecarboxylic acid), a plant metabolite and a systemic acquired resistance (SAR) regulator, orchestrates SAR establishment in concert with the immune signal salicylic acid. N-Hydroxypipecolic acid accumulates systemically in the plant foliage in response to pathogen attack. N-Hydroxypipecolic acid induces SAR to bacterial and oomycete infection[1][2][3].
NMH-Pro
(R)-4-hydroxy-1-methyl-L-proline is an L-proline derivative that is trans-4-hydroxy-L-proline in which the amino hydrogen has been replaced by a methyl group. It has a role as a plant metabolite and an anti-HIV-1 agent. It is a L-proline derivative and a pyrrolidine alkaloid. It is functionally related to a trans-4-hydroxy-L-proline. An L-proline derivative that is trans-4-hydroxy-L-proline in which the amino hydrogen has been replaced by a methyl group. 4-Hydroxyhygric acid is a compound isolated from leaves of five species of the leguminous tropical tree Copuiferq. 4-Hydroxyhygric acid is the inhibitor of larval development of the seed-feeding bruchid beetle Callosobruchus maculatus and to have significant feeding deterrence of the leaf-feeding lepidopteran Spodoprera littoralis[1].
4-Acetamidobutanoate
4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1]. 4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1]. 4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1].
4-Guanidinobutanoate
4-Guanidinobutanoic acid is a normal metabolite present in low concentrations. 4-Guanidinobutanoic acid is a normal metabolite present in low concentrations.
Indole-3-carboxaldehyde
Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
indole-3-aldehyde
Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
4-Acetamidobutyric acid
4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1]. 4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1]. 4-Acetamidobutanoic acid (N-acetyl GABA), the main metabolite of GABA, exhibits antioxidant and antibacterial activities[1].
4-Guanidinobutyric acid
4-Guanidinobutanoic acid is a normal metabolite present in low concentrations. 4-Guanidinobutanoic acid is a normal metabolite present in low concentrations.
N-Isobutyrylglycine
An N-acylglycine in which the acyl group is specified as isobutryl.
Butyrylglycine
A N-acylglycine obtained by formal condensation of the carboxy group of butyric acid with the amino group of glycine.
8-HYDROXYQUINOLINE
CONFIDENCE standard compound; INTERNAL_ID 994; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4548; ORIGINAL_PRECURSOR_SCAN_NO 4543 CONFIDENCE standard compound; INTERNAL_ID 994; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3815; ORIGINAL_PRECURSOR_SCAN_NO 3813 CONFIDENCE standard compound; INTERNAL_ID 994; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4227; ORIGINAL_PRECURSOR_SCAN_NO 4222
4-Acetamidobutanoic acid
An N-acyl-gamma-aminobutyric acid resulting from the monoacetylation of the nitrogen of GABA.
allysine
An alpha-amino acid consisting of lysine having an oxo group in place of the side-chain amino group.
Methyl aminolevulinate
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XD - Sensitizers used in photodynamic/radiation therapy D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents C1420 - Photosensitizing Agent D003879 - Dermatologic Agents
5-hydroxypipecolic acid
A piperidinemonocarboxylic acid that is pipecolic acid with a hydroxy substituent at position 5.
Quinazolin-4-amine
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Urea, N-[(methoxyimino)methyl]-N,N-dimethyl- (9CI)
2-Piperidinecarboxylicacid,5-hydroxy-,(2R,5S)-(9CI)
2,3-dihydro-1h-pyrrolo[2,3-b]pyridine-5-carbonitrile
4-FLUORO-2-AZABICYCLO[2.1.1]HEXANE-1-CARBOXYLIC ACID
4-Piperidinecarboxylic acid, 3-hydroxy-, trans- (9CI)
(2R,3S)-O,O-DIACETYL-3-DIBENZYLAMINO-5-METHYLHEXANE-1,2-DIOL
4-AMINO-ALPHA-[(TERT-BUTYLAMINO)METHYL]-3,5-DICHLOROBENZYLALCOHOL
2-(4-chloro-1H-pyrazol-1-yl)ethanamine(SALTDATA: FREE)
2-[bis(trideuteriomethyl)amino]acetic acid,hydrochloride
C4H4ClD6NO2 (145.07766606799998)
2-(Methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
2-bromo-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
(2S,4R)-1-BOC-4-AMINO-PYRROLIDINE-2-CARBOXYLICACID
2-Piperidinecarboxylicacid, 4-hydroxy-, (2R,4R)-rel-
L-glutamate(2-)
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
AI3-52407
Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
(S)-2-Amino-6-oxohexanoate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(R)-3-Hydroxy-3-methyl-2-oxopentanoate
The conjugate base of (R)-3-hydroxy-3-methyl-2-oxopentanoic acid and R enantiomer of 3-hydroxy-3-methyl-2-oxopentanoate.
4-Hydroxy-2-oxohexanoate
A medium-chain fatty acid anion comprising hexanoate substituted at C-2 and C-4 with oxo and hydroxy groups respectively.
(S)-4-hydroxy-2-oxohexanoate
An optically active form of 4-hydroxy-2-oxohexanoate having 4S-configuration.
3-Hydroxy-3-methyl-2-oxopentanoate
The conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid.
3-Ureidoisobutyrate(1-)
C5H9N2O3- (145.06131440000001)
A monocarboxylic acid anion that is the conjugate base of 3-ureidoisobutyric acid, obtained by deprotonation of the carboxy group.
(4R)-5-oxo-L-leucine
A L-leucine derivative that is L-leucine substituted by an oxo group at position 5.
Glutaminate
C5H9N2O3- (145.06131440000001)
An alpha-amino-acid anion that is the conjugate base of glutamine, arising from deprotonation of the carboxy group.
L-Glutaminate
C5H9N2O3- (145.06131440000001)
An optically active form of glutaminate having L-configuration.
D-Glutaminate
C5H9N2O3- (145.06131440000001)
An optically active form of glutaminate having D-configuration.
(S)-3-Hydroxy-3-methyl-2-oxopentanoate
The (S)-enantiomer of 3-hydroxy-3-methyl-2-oxopentanoate.
1-Hydroxyisoquinoline
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
L-glutamate(2-)
An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid.
Glutamate(2-)
A dicarboxylic acid dianion that is the conjugate base of glutamate(1-).
allysine zwitterion
Zwitterionic form of allysine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Quinolin-2(1H)-one
A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.
Agrocybin
A triyne amide produced by the Brazilian fungus Agrocybe perfecta (Basidiomycota).
indole-4-carbaldehyde
A heteroarenecarbaldehyde that is indole in which the hydrogen at position 4 has been replaced by a formyl group.
6-amino-2-oxohexanoic acid zwitterion
Zwitterionic form of 6-amino-2-oxohexanoic acid arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
2-dehydropantoate
A 2-oxo monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 2-dehydropantoic acid.
Quinolin-2-ol
A monohydroxyquinoline carrying a hydroxy substituent at position 2. It is an intermediate metabolite produced duting the microbial degradation of quinoline.
L-allysine zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-allysine; major species at pH 7.3.
(2s,4r)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
(2s)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
(2r,3s)-1-amino-3-hydroxy-2-methylcyclobutane-1-carboxylic acid
(e)-[(2e)-3-carboxyprop-2-en-1-ylidene](methoxy)oxidoazanium
1H-indole-3-carbonxal-dehyde
{"Ingredient_id": "HBIN002593","Ingredient_name": "1H-indole-3-carbonxal-dehyde","Alias": "NA","Ingredient_formula": "C9H7NO","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CN2)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39629","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2R,4S)-4-hydroxypipecolinic acid
{"Ingredient_id": "HBIN006514","Ingredient_name": "(2R,4S)-4-hydroxypipecolinic acid","Alias": "(2R,4S)-4-hydroxy-2-piperidinecarboxylic acid; (2R,4S)-4-hydroxypiperidine-2-carboxylic acid","Ingredient_formula": "C6H11NO3","Ingredient_Smile": "C1CNC(CC1O)C(=O)O","Ingredient_weight": "145.16 g/mol","OB_score": "70.19561769","CAS_id": "NA","SymMap_id": "SMIT10915","TCMID_id": "NA","TCMSP_id": "MOL009832","TCM_ID_id": "NA","PubChem_id": "11389456","DrugBank_id": "NA"}
(2S, 4R)-4-hydroxy-2-piperidine-carboxylic acid
{"Ingredient_id": "HBIN006745","Ingredient_name": "(2S, 4R)-4-hydroxy-2-piperidine-carboxylic acid","Alias": "NA","Ingredient_formula": "C6H11NO3","Ingredient_Smile": "C1CNC(CC1O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42159","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-aldehydoindole
{"Ingredient_id": "HBIN007888","Ingredient_name": "3-aldehydoindole","Alias": "NA","Ingredient_formula": "C9H7NO","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CN2)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "874","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-isoquinoli-nol
{"Ingredient_id": "HBIN013300","Ingredient_name": "7-isoquinoli-nol","Alias": "NA","Ingredient_formula": "C9H7NO","Ingredient_Smile": "C1=CC(=CC2=C1C=CN=C2)O","Ingredient_weight": "145.16 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38623","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "459767","DrugBank_id": "NA"}