Exact Mass: 175.02563980000002
Exact Mass Matches: 175.02563980000002
Found 500 metabolites which its exact mass value is equals to given mass value 175.02563980000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gentianine
Gentianine, also known as 4-(2-hydroxyethyl)-5-vinylnicotinate g-lactone, is a member of the class of compounds known as pyranopyridines. Pyranopyridines are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring. Gentianine is soluble (in water) and a strong basic compound (based on its pKa). Gentianine is a bitter tasting compound found in fenugreek, which makes gentianine a potential biomarker for the consumption of this food product. Gentianine is a pyranopyridine, a lactone and a pyridine alkaloid. Gentianine is a natural product found in Strychnos angolensis, Strychnos xantha, and other organisms with data available. See also: Fenugreek seed (part of); Centaurium erythraea whole (part of).
Guanidinosuccinic acid
Guanidinosuccinic acid (GSA) has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID:22626821). It is one of the earliest uremic toxins isolated and its toxicity identified. Its metabolic origins show that it arose from the oxidation of argininosuccinic acid (ASA) by free radicals. The stimulus for this oxidation, occurring optimally in the presence of the failed kidney, is the rising level of urea which, through enzyme inhibition, results in a decline in hepatic levels of the semi-essential amino acid, arginine. It is further noted that concentrations of GSA in both serum and urine decline sharply in animals and humans exposed to the essential amino acid, methionine. Uremic patients suffer from a defective ability to generate methyl groups due to anorexia, dietary restrictions and renal protein leakage. This leads to the accumulation of homocysteine, a substance known to produce vascular damage. Even in healthy subjects intake of choline together with methionine is insufficient to satisfy total metabolic requirements for methyl groups. In end-stage renal disease, therefore, protein restriction contributes to the build-up of toxins in uremia. Replacement using specific amino acid mixtures should be directed toward identified deficiencies and adequacy monitored by following serum levels of the related toxins, in this case GSA and homocysteine. (PMID 12701806). Guanidinosuccinic acid (GSA) is one of the earliest uremic toxins isolated and its toxicity identified. Its metabolic origins show that it arose from the oxidation of argininosuccinic acid (ASA) by free radicals. The stimulus for this oxidation, occurring optimally in the presence of the failed kidney, is the rising level of urea which, through enzyme inhibition, results in a decline in hepatic levels of the semi-essential amino acid, arginine. It is further noted that concentrations of GSA in both serum and urine decline sharply in animals and humans exposed to the essential amino acid, methionine. Uremic patients suffer from a defective ability to generate methyl groups due to anorexia, dietary restrictions and renal protein leakage. This leads to the accumulation of homocysteine, a substance known to produce vascular damage. Even in healthy subjects intake of choline together with methionine is insufficient to satisfy total metabolic requirements for methyl groups. In end-stage renal disease, therefore, protein restriction contributes to the build-up of toxins in uremia. Replacement using specific amino acid mixtures should be directed toward identified deficiencies and adequacy monitored by following serum levels of the related toxins, in this case GSA and homocysteine. (PMID 12701806) [HMDB] Guanidinosuccinic acid is a nitrogenous metabolite.
Indoleacetic acid
Indoleacetic acid (IAA) is a breakdown product of tryptophan metabolism and is often produced by the action of bacteria in the mammalian gut. Higher levels of IAA are associated with bacteria from Clostridium species including C. stricklandii, C. lituseburense, C. subterminale, and C. putrefaciens (PMID: 12173102). IAA can be found in Agrobacterium, Azospirillum, Bacillus, Bradyrhizobium, Clostridium, Enterobacter, Pantoea, Pseudomonas, Rhizobium (PMID: 12173102, PMID: 17555270, PMID: 12147474, PMID: 19400643, PMID: 9450337, PMID: 21397014) (https://link.springer.com/chapter/10.1007/978-1-4612-3084-7_7) (https://escholarship.org/uc/item/1bf1b5m3). Some endogenous production of IAA in mammalian tissues also occurs. It may be produced by the decarboxylation of tryptamine or the oxidative deamination of tryptophan. IAA frequently occurs at low levels in urine and has been found in elevated levels in the urine of patients with phenylketonuria (PMID: 13610897). IAA has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Using material extracted from human urine, it was discovered by Kogl in 1933 that indoleacetic acid is also an important plant hormone (PMID: 13610897). Specifically, IAA is a member of the group of phytohormones called auxins. IAA is generally considered to be the most important native auxin. Plant cells synthesize IAA from tryptophan (Wikipedia). IAA and some derivatives can be oxidized by horseradish peroxidase (HRP) into cytotoxic species. IAA is only toxic after oxidative decarboxylation; the effect of IAA/HRP is thought to be due in part to the formation of methylene-oxindole, which may conjugate with DNA bases and protein thiols. IAA/HRP could be used as the basis for targeted cancer, a potential new role for plant auxins in cancer therapy (PMID: 11163327). 1h-indol-3-ylacetic acid, also known as (indol-3-yl)acetate or heteroauxin, belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. 1h-indol-3-ylacetic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 1h-indol-3-ylacetic acid is a mild, odorless, and sour tasting compound and can be found in a number of food items such as sweet bay, chinese bayberry, winter squash, and linden, which makes 1h-indol-3-ylacetic acid a potential biomarker for the consumption of these food products. 1h-indol-3-ylacetic acid can be found primarily in most biofluids, including blood, feces, saliva, and urine, as well as throughout most human tissues. 1h-indol-3-ylacetic acid exists in all living species, ranging from bacteria to humans. In humans, 1h-indol-3-ylacetic acid is involved in the tryptophan metabolism. Moreover, 1h-indol-3-ylacetic acid is found to be associated with appendicitis and irritable bowel syndrome. 1h-indol-3-ylacetic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Chronic Exposure: Kidney dialysis is usually needed to relieve the symptoms of uremic syndrome until normal kidney function can be restored. CONFIDENCE standard compound; INTERNAL_ID 190; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3375; ORIGINAL_PRECURSOR_SCAN_NO 3371 CONFIDENCE standard compound; INTERNAL_ID 190; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3366; ORIGINAL_PRECURSOR_SCAN_NO 3363 CONFIDENCE standard compound; INTERNAL_ID 190; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3365; ORIGINAL_PRECURSOR_SCAN_NO 3361 CONFIDENCE standard compound; INTERNAL_ID 190; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3395; ORIGINAL_PRECURSOR_SCAN_NO 3391 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 190; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3366; ORIGINAL_PRECURSOR_SCAN_NO 3363 CONFIDENCE standard compound; INTERNAL_ID 190; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3369; ORIGINAL_PRECURSOR_SCAN_NO 3366 CONFIDENCE standard compound; INTERNAL_ID 190; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3385; ORIGINAL_PRECURSOR_SCAN_NO 3380 D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids Acquisition and generation of the data is financially supported in part by CREST/JST. IPB_RECORD: 275; CONFIDENCE confident structure CONFIDENCE standard compound; INTERNAL_ID 2796 CONFIDENCE standard compound; INTERNAL_ID 166 COVID info from COVID-19 Disease Map Corona-virus KEIO_ID I038 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 3-Indoleacetic acid (Indole-3-acetic acid) is the most common natural plant growth hormone of the auxin class. It can be added to cell culture medium to induce plant cell elongation and division. 3-Indoleacetic acid (Indole-3-acetic acid) is the most common natural plant growth hormone of the auxin class. It can be added to cell culture medium to induce plant cell elongation and division.
N-acetylaspartate (NAA)
N-Acetyl-L-Aspartic acid (NAA) or N-Acetylaspartic acid, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-alpha-Acetyl-L-aspartic acid can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetyl-L-aspartic acid is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-aspartic acid. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylaspartate can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free aspartic acid can also occur. In particular, N-Acetyl-L-aspartic acid can be synthesized in neurons from the amino acid aspartate and acetyl coenzyme A (acetyl CoA). Specifically, the enzyme known as aspartate N-acetyltransferase (EC 2.3.1.17) catalyzes the transfer of the acetyl group of acetyl CoA to the amino group of aspartate. N-Acetyl-L-aspartic acid is the second most concentrated molecule in the brain after the amino acid glutamate. The various functions served by N-acetylaspartic acid are still under investigation, but the primary proposed functions include (1) acting as a neuronal osmolyte that is involved in fluid balance in the brain, (2) serving as a source of acetate for lipid and myelin synthesis in oligodendrocytes (the glial cells that myelinate neuronal axons), (3) serving as a precursor for the synthesis of the important dipeptide neurotransmitter N-acetylaspartylglutamate (NAAG), and (4) playing a potential role in energy production from the amino acid glutamate in neuronal mitochondria. High neurotransmitter (i.e. N-acetylaspartic acid) levels can lead to abnormal neural signaling, delayed or arrested intellectual development, and difficulties with general motor skills. When present in sufficiently high levels, N-acetylaspartic acid can be a neurotoxin, an acidogen, and a metabotoxin. A neurotoxin is a compound that disrupts or attacks neural tissue. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of N-acetylaspartic acid are associated with Canavan disease. Because N-acetylaspartic acid functions as an organic acid and high levels of organic acids can lead to a condition known... N-Acetylaspartic acid is a derivative of aspartic acid. It is the second most concentrated molecule in the brain after the amino acid glutamate. It is synthesized in neurons from the amino acid aspartate and acetyl coenzyme A. The various functions served by N-acetylaspartic acid are still under investigation, but the primary proposed functions include: Acquisition and generation of the data is financially supported in part by CREST/JST. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids KEIO_ID A142 N-Acetyl-L-aspartic acid is a derivative of aspartic acid.
7-Amino-4-methylcoumarin
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents CONFIDENCE standard compound; INTERNAL_ID 8840 CONFIDENCE standard compound; INTERNAL_ID 2482 CONFIDENCE standard compound; INTERNAL_ID 66
N-Formyl-L-glutamic acid
N-Formyl-L-glutamate is an intermediate in the histidine metabolism, in a reaction mediated by the enzyme formiminotransferase cyclodeaminase [EC:2.1.2.5 4.3.1.4], a bifunctional enzyme that channels 1-carbon units from formiminoglutamate to the folate pool.(KEGG) [HMDB] N-Formyl-L-glutamate is an intermediate in the histidine metabolism, in a reaction mediated by the enzyme formiminotransferase cyclodeaminase [EC:2.1.2.5 4.3.1.4], a bifunctional enzyme that channels 1-carbon units from formiminoglutamate to the folate pool.(KEGG).
indole-3-glycol aldehyde
Indole-3-glycol aldehyde, also known as 2-hydroxy-2-(1h-indol-3-yl)acetaldehyde, 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. Indole-3-glycol aldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Indole-3-glycol aldehyde can be found in a number of food items such as tree fern, jostaberry, pitanga, and pine nut, which makes indole-3-glycol aldehyde a potential biomarker for the consumption of these food products.
2-Amino-3-oxoadipate
This compound belongs to the family of 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).
5-Hydroxyindoleacetaldehyde
5-Hydroxyindoleacetaldehyde, also known as 5-HIAL, belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. Within humans, 5-hydroxyindoleacetaldehyde participates in a number of enzymatic reactions. In particular, 5-hydroxyindoleacetaldehyde can be biosynthesized from serotonin through its interaction with the enzyme kynurenine 3-monooxygenase. In humans, 5-hydroxyindoleacetaldehyde is involved in tryptophan metabolism. Outside of the human body, 5-hydroxyindoleacetaldehyde has been detected, but not quantified in, several different foods, such as garden rhubarbs, black radish, oriental wheat, garden tomato, and wild leeks. This could make 5-hydroxyindoleacetaldehyde a potential biomarker for the consumption of these foods. 5-Hydroxyindoleacetaldehyde is a biogenic aldehyde of serotonin derived from the action of monoamine oxidase (MAO) (PMID: 11306106, 2470392). 5-hydroxyindoleacetaldehyde, also known as 5-hial, is a member of the class of compounds known as hydroxyindoles. Hydroxyindoles are organic compounds containing an indole moiety that carries a hydroxyl group. 5-hydroxyindoleacetaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5-hydroxyindoleacetaldehyde can be found in a number of food items such as durian, squashberry, black huckleberry, and daikon radish, which makes 5-hydroxyindoleacetaldehyde a potential biomarker for the consumption of these food products. 5-hydroxyindoleacetaldehyde can be found primarily in blood, feces, and urine, as well as in human kidney and liver tissues. In humans, 5-hydroxyindoleacetaldehyde is involved in the tryptophan metabolism. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Methylquinoline-3,4-diol
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
7-Cyano-7-deazaguanine
A pyrrolopyrimidine that is 7-deazaguanine substituted at position 7 by a cyano group.
(R)-(E)-Sulforaphene
Mustard oil from Glucoraphenin (see 4-(Methylthio)-3-butenyl glucosinolate
1-Methoxy-1H-indole-3-carboxaldehyde
1-methoxy-1h-indole-3-carboxaldehyde is a member of the class of compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 1-methoxy-1h-indole-3-carboxaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-methoxy-1h-indole-3-carboxaldehyde can be found in root vegetables, which makes 1-methoxy-1h-indole-3-carboxaldehyde a potential biomarker for the consumption of this food product. 1-Methoxy-1H-indole-3-carboxaldehyde is found in root vegetables. 1-Methoxy-1H-indole-3-carboxaldehyde is a stress metabolite from the Japanese radish Daikon (Raphanus sativus var. hortensis) inoculated with Pseudomonas cichorii.
Berteroin
Berteroin is found in brassicas. Berteroin is produced by Wasabia japonica (Japanese horseradish
Hydroxymethyl indol-3-yl ketone
Hydroxymethyl indol-3-yl ketone is found in mushrooms. Hydroxymethyl indol-3-yl ketone is an alkaloid from liquid cultures of the fungus Lactarius deliciosus. Alkaloid from liquid cultures of the fungus Lactarius deliciosus. Hydroxymethyl indol-3-yl ketone is found in mushrooms.
D-N-(Carboxyacetyl)alanine
D-N-(Carboxyacetyl)alanine is found in pulses. D-N-(Carboxyacetyl)alanine is isolated from seedlings of Pisum sativum (pea). Isolated from seedlings of Pisum sativum (pea). D-N-(Carboxyacetyl)alanine is found in pulses and common pea.
3-Hydroxypyridine sulfate
3-Hydroxypyridine sulfate belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. 3-Hydroxypyridine sulfate is a potential urinary biomarker of whole grain intake (PMID: 27805021).
2-Methylquinoline
2-methylquinoline is a member of the class of compounds known as hydroquinolines. Hydroquinolines are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. 2-methylquinoline is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-methylquinoline can be found in tea, which makes 2-methylquinoline a potential biomarker for the consumption of this food product. Quinaldine or 2-methylquinoline is an organic compound with the formula CH3C9H6N. It is one of the methyl derivative of a heterocyclic compound quinoline. It is bioactive and is used in the preparation of various dyes. It is a colorless oil but commercial samples can be colored .
2-oxo-6-methylthiohexanoate
2-oxo-6-methylthiohexanoate, also known as 6-(methylthio)-2-oxohexanoic acid, belongs to medium-chain keto acids and derivatives class of compounds. Those are keto acids with a 6 to 12 carbon atoms long side chain. 2-oxo-6-methylthiohexanoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-6-methylthiohexanoate can be found in a number of food items such as soursop, nance, turmeric, and strawberry guava, which makes 2-oxo-6-methylthiohexanoate a potential biomarker for the consumption of these food products.
Indoleacetic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 3-Indoleacetic acid (Indole-3-acetic acid) is the most common natural plant growth hormone of the auxin class. It can be added to cell culture medium to induce plant cell elongation and division. 3-Indoleacetic acid (Indole-3-acetic acid) is the most common natural plant growth hormone of the auxin class. It can be added to cell culture medium to induce plant cell elongation and division.
Methyl indole-3-carboxylate
The methyl ester of indole-3-carboxylic acid. Methyl indole-3-carboxylate is a natural product isolated from Sorangium cellulosum strain Soce895. Methyl indole-3-carboxylate shows a weak activity against the Gram-positive Nocardia sp with a MIC value of 33.33 μg/mL[1]. Methyl indole-3-carboxylate is a natural product isolated from Sorangium cellulosum strain Soce895. Methyl indole-3-carboxylate shows a weak activity against the Gram-positive Nocardia sp with a MIC value of 33.33 μg/mL[1].
6-vinyl-3,4-dihydro-pyrano[3,4-c]pyridin-1-one|Gentianin
5-methoxyindole-3-carbaldehyde
IPB_RECORD: 273; CONFIDENCE confident structure
4-Methoxy-1H-indole-3-carbaldehyde
IPB_RECORD: 279; CONFIDENCE structure hypothesis
1-methoxyindole-3-carbaldehyde
IPB_RECORD: 280; CONFIDENCE confident structure
Sulforaphene
(r)-(e)-sulforaphene is a member of the class of compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R (R,R not H) (r)-(e)-sulforaphene is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (r)-(e)-sulforaphene can be found in root vegetables, which makes (r)-(e)-sulforaphene a potential biomarker for the consumption of this food product. Acquisition and generation of the data is financially supported in part by CREST/JST.; L Sulforaphene, 99\\\\\% / (-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].
1-Methoxy-3-carbaldehyde
Acquisition and generation of the data is financially supported in part by CREST/JST.
N-acetyl-L-aspartic acid
An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; OTCCIMWXFLJLIA-BYPYZUCNSA-N_STSL_0218_N-Acetyl-L-aspartic acid_2000fmol_190326_S2_LC02MS02_065; 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-L-aspartic acid is a derivative of aspartic acid.
3-Indoleacetic acid
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; SEOVTRFCIGRIMH-UHFFFAOYSA-N_STSL_0200_3-Indoleacetic Acid_2000fmol_180831_S2_L02M02_62; 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. 3-Indoleacetic acid (Indole-3-acetic acid) is the most common natural plant growth hormone of the auxin class. It can be added to cell culture medium to induce plant cell elongation and division. 3-Indoleacetic acid (Indole-3-acetic acid) is the most common natural plant growth hormone of the auxin class. It can be added to cell culture medium to induce plant cell elongation and division.
S-Sulforaphene
Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].
Indoleacetic acid
3-Indoleacetic acid (Indole-3-acetic acid) is the most common natural plant growth hormone of the auxin class. It can be added to cell culture medium to induce plant cell elongation and division. 3-Indoleacetic acid (Indole-3-acetic acid) is the most common natural plant growth hormone of the auxin class. It can be added to cell culture medium to induce plant cell elongation and division.
4-methoxy-2H-isoquinolin-1-one [IIN-based: Match]
N-Acetylaspartate
N-Acetyl-L-aspartic acid is a derivative of aspartic acid.
3-Hydroxy-2-methyl-1H-quinolin-4-one
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Dimethyloxalylglycine
DMOG (Dimethyloxallyl Glycine) is a cell permeable and competitive inhibitor of HIF-PH, which results in HIF-1α stabilisation and accmulation?in vitro and in vivo[1]. DMOG is an α-ketoglutarate analogue and inhibits α-KG-dependent hydroxylases. DMOG?acts as a pro-angiogenic agent and plays a protective role in experimental model of colitis and diarrhoea via HIF-1 related signal[2][4]. DMOG induces cell autophagy[5].
N,N-Dimethyl-1H-imidazole-1-sulfonamide
C5H9N3O2S (175.04154540000002)
Benzenemethanamine, 3,4,5-trifluoro-a-methyl-, (aR)-
1H-Pyrazole-4-sulfonamide,3,5-dimethyl-(9CI)
C5H9N3O2S (175.04154540000002)
1,3-DIHYDRO-2-THIOXO-1H-BENZIMIDAZOLE-5-CARBONITRILE
(3A S-CIS)-(-)-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-2-ONE
2-(aminomethyl)thiazole-5-carbonitrile hydrochloride
1-(3,6-DIBROMO-CARBAZOL-9-YL)-3-PYRROLIDIN-1-YL-PROPAN-2-OL
2-(3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)ACETONITRILE
(4-(TRIFLUOROMETHYL)PHENYL)METHANAMINE HYDROCHLORIDE
5-Chloro-2-fluoropyridine-4-boronic acid
C5H4BClFNO2 (175.00076360000003)
5-(aminomethyl)pyrimidine-2,4-diamine,hydrochloride
C5H10ClN5 (175.06246900000002)
(6-Chloro-5-fluoro-3-pyridinyl)boronic acid
C5H4BClFNO2 (175.00076360000003)
(3AR-CIS)-(+)-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-2-ONE
2-CHLORO-N-(2,2,2-TRIFLUOROETHYL)ACETAMIDE
C4H5ClF3NO (175.00117459999998)
Carfimate
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
L-Cysteine hydrochloride hydrate
A hydrate that is the monohydrate form of L-cysteine hydrochloride. L-Cysteine hydrochloride hydrate is a conditionally essential amino acid, which acts as a precursor for biologically active molecules such as hydrogen sulphide (H2S), glutathione and taurine. L-Cysteine hydrochloride hydrate suppresses ghrelin and reduces appetite in rodents and humans[1].
7,8-dihydro-5H-cyclohepta[b]pyridine-5,9(6H)-dione
6-Chloro-2-fluoropyridine-3-boronic acid
C5H4BClFNO2 (175.00076360000003)
2-Chloro-5-fluoropyridine-4-boronic acid
C5H4BClFNO2 (175.00076360000003)
2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
3-AMINO-6,7-DIHYDROPYRAZOLO[1,2-A]PYRAZOL-1(5H)-ONE HYDROCHLORIDE
(5-Chloro-2-fluoro-3-pyridinyl)boronic acid
C5H4BClFNO2 (175.00076360000003)
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride
4-fluorophenethylamine hydrochloride
C8H11ClFN (175.05640079999998)
(±)-3-Trifluoromethylpyrrolidine hydrochloride
C5H9ClF3N (175.03755800000002)
4-(5-methyl-1,2-oxazol-3-ylidene)cyclohexa-2,5-dien-1-one
5-(chloromethyl)-4-ethyl-2-methyl-1,3-thiazole(SALTDATA: FREE)
2-chloro-5-fluoropyridine-3-boronic acid
C5H4BClFNO2 (175.00076360000003)
(R)-1-(3-fluorophenyl)ethanamine hydrochloride
C8H11ClFN (175.05640079999998)
4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
2(3H)-THIAZOLETHIONE, 5-(2-HYDROXYETHYL)-4-METHYL-
4,5,6,7-Tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one hydrochloride
(4-METHOXYPYRIMIDIN-2-YL)METHANAMINE HYDROCHLORIDE
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
3-Chloro-2-fluoropyridine-4-boronic acid
C5H4BClFNO2 (175.00076360000003)
1,2-Dimethylimidazole-4-sulfonamide
C5H9N3O2S (175.04154540000002)
(4-FLUORO-1H-INDOL-3-YL)-ACETICACID
C8H11ClFN (175.05640079999998)
(5-Chloro-6-fluoro-3-pyridinyl)boronic acid
C5H4BClFNO2 (175.00076360000003)
(2-Chloro-3-fluoro-4-pyridinyl)boronic acid
C5H4BClFNO2 (175.00076360000003)
3-PYRIDAZINECARBOXYLIC ACID, 6-AMINO-, HYDROCHLORIDE
1-(3-chloropropyl)pyrrolidine-2,5-dione(SALTDATA: FREE)
(1R)-1-(4-Fluorphenyl)ethanaminhydrochlorid(1:1)
C8H11ClFN (175.05640079999998)
(S)-1-(3-Fluorophenyl)ethylamine hydrochloride
C8H11ClFN (175.05640079999998)
tetrahydro-3-(isocyanatomethyl)Thiophene 1,1-dioxide
7-Amino-4,5-dihydro-5-oxo-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
(R)-1-(2-Fluorophenyl)ethylamine hydrochloride
C8H11ClFN (175.05640079999998)
2-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)acetic acid
2-(Trifluoromethyl)pyrrolidine, hydrochloride
C5H9ClF3N (175.03755800000002)
Propanedioic acid, (methoxyimino)-, dimethyl ester
2-oxo-6-methylthiohexanoate
2-oxo-6-methylthiohexanoate, also known as 6-(methylthio)-2-oxohexanoic acid, belongs to medium-chain keto acids and derivatives class of compounds. Those are keto acids with a 6 to 12 carbon atoms long side chain. 2-oxo-6-methylthiohexanoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-6-methylthiohexanoate can be found in a number of food items such as soursop, nance, turmeric, and strawberry guava, which makes 2-oxo-6-methylthiohexanoate a potential biomarker for the consumption of these food products.
(2S)-2-azaniumyl-3-(carboxylatoformamido)propanoate
2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoic acid
3,4-Dihydroxy-5-(2-hydroxyethanimidoyl)oxolan-2-one
2-Amino-5-chloro-cis,cis-muconic 6-semialdehyde
A muconic semialdehyde having amino and chloro substituents at positions 2 and 5 respectively.
L-ascorbate
The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.
N-Amidino-L-aspartic acid
An aspartic acid derivative comprising L-aspartic acid carrying an N-amidino substituent.
2-amino-5-chloro-cis,cis-muconate 6-semialdehyde zwitterion
An amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde
2-Amino-3-oxoadipic acid
A 1,6-dicarboxylic acid compound having an amino substituent at the 2-position and an oxo substituent at the 3-position.