Exact Mass: 221.089933
Exact Mass Matches: 221.089933
Found 500 metabolites which its exact mass value is equals to given mass value 221.089933,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carbofuran
CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7935; ORIGINAL_PRECURSOR_SCAN_NO 7933 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3474; ORIGINAL_PRECURSOR_SCAN_NO 3473 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7945; ORIGINAL_PRECURSOR_SCAN_NO 7944 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3475; ORIGINAL_PRECURSOR_SCAN_NO 3474 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7942; ORIGINAL_PRECURSOR_SCAN_NO 7940 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3451; ORIGINAL_PRECURSOR_SCAN_NO 3450 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7941; ORIGINAL_PRECURSOR_SCAN_NO 7940 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7946; ORIGINAL_PRECURSOR_SCAN_NO 7943 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3456; ORIGINAL_PRECURSOR_SCAN_NO 3455 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3454; ORIGINAL_PRECURSOR_SCAN_NO 3452 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3511; ORIGINAL_PRECURSOR_SCAN_NO 3510 CONFIDENCE standard compound; INTERNAL_ID 779; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7918; ORIGINAL_PRECURSOR_SCAN_NO 7917 D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor Systemic agricultural insecticide, acaricide and nematocid CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1084 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3040 D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
N-Acetyl-D-glucosamine
N-Acetyl-D-Glucosamine (N-acetlyglucosamine) is a monosaccharide derivative of glucose. Chemically it is an amide between glucosamine and acetic acid. A single N-acetlyglucosamine moiety linked to serine or threonine residues on nuclear and cytoplasmic proteins -O-GlcNAc, is an ubiquitous post-translational protein modification. O-GlcNAc modified proteins are involved in sensing the nutrient status of the surrounding cellular environment and adjusting the activity of cellular proteins accordingly. O-GlcNAc regulates cellular responses to hormones such as insulin, initiates a protective response to stress, modulates a cells capacity to grow and divide, and regulates gene transcription. In humans, it exists in skin, cartilage and blood vessel as a component of hyaluronic acid, and bone tissue, cornea and aorta as a component of keratan sulfate. (PMID 16237703). Monomer of Chitinand is also in the exopolysaccharide from blue-green alga Cyanospira capsulata (CCD) N-Acetyl-D-Glucosamine (N-Acetyl-2-amino-2-deoxy-D-glucose) is a monosaccharide derivative of glucose.
Metaxalone
Metaxalone (marketed by King Pharmaceuticals under the brand name Skelaxin) is a muscle relaxant used to relax muscles and relieve pain caused by strains, sprains, and other musculoskeletal conditions. Its exact mechanism of action is not known, but it may be due to general central nervous system depression. It is considered to be a moderately strong muscle relaxant, with relatively low incidence of side effects. Skelaxin comes in an 800 mg scored tablet. It previously came in both 400 mg and 800 mg tablets. The 400 mg tablet has been discontinued. Possible side effects include nausea, vomiting, drowsiness and CNS side effects such as dizziness, headache, and irritability. D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D000890 - Anti-Infective Agents > D023303 - Oxazolidinones CONFIDENCE standard compound; EAWAG_UCHEM_ID 3127
Amidino-scyllo-inosamine
C7H15N3O5 (221.10116599999998)
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylgalactosamine, also known as GalNAc, belongs to the class of organic compounds known as N-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an N-acyl group. N-Acetylgalactosamine is also classified as an amino sugar derivative of galactose. In humans GalNAc functions as the terminal carbohydrate forming the antigen of blood group A. GalNAc is typically the first monosaccharide that connects serine or threonine during protein O-glycosylation and the formation of glycoproteins. This is often referred to as mucin-type O-glycosylation, as the mucins (a class of a family of high molecular weight, heavily glycosylated proteins produced by epithelial tissues in most animals which have an ability to form gels) are heavily O-GalNAc modified. Interestingly, mammals have genes encoding for approximately 20 different polypeptide-N-acetylgalactosaminyltransferases (ppGalNAcTs), all of which transfer GalNAc from UDP-GalNAc to a hydroxyl-containing amino acids such as serine or threonine. N- O-GalNAc-containing glycoproteins appear to play a variety of essential roles. Among these is the ability of the mucins to hydrate and protect tissues by trapping bacteria. These O-glycans can also significantly alter the conformation of the protein and on the heavily modified proteins may protect the polypeptide from proteolytic digestion. O-GalNAc structures also appear to play an essential role in sperm–egg interactions. From a pathophysiological perspective, O-GalNAc modification appears to play a critical role in the immune system, cell–cell interactions, and cancer. N-Acetylgalactosamine is an important constituent of brain heteropolysaccharides (glycoproteins). The concentration of the N-acetylgalactosamine-containing glycoproteins in the 3-year-old cerebral gray matter from human brain is 7-15 times greater than in 8-year old tissue and 15-30 times greater than in 72-year-old tissue. Outside of the human body, N-Acetylgalactosamine has been detected, but not quantified in, several different foods, such as prickly pears, italian sweet red peppers, wheats, silver lindens, and sour cherries. This could make N-acetylgalactosamine a potential biomarker for the consumption of these foods. N-acetylgalactosamine, also known as alpha-galnac or tn, is a member of the class of compounds known as N-acyl-alpha-hexosamines. N-acyl-alpha-hexosamines are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. N-acetylgalactosamine is soluble (in water) and a very weakly acidic compound (based on its pKa). N-acetylgalactosamine can be found in a number of food items such as colorado pinyon, common bean, mulberry, and jostaberry, which makes N-acetylgalactosamine a potential biomarker for the consumption of these food products. N-acetylgalactosamine can be found primarily in feces and saliva, as well as throughout most human tissues. N-Acetylgalactosamine (GalNAc), is an amino sugar derivative of galactose . D-N-Acetylgalactosamine is an endogenous metabolite.
beta-N-Acetylglucosamine
beta-N-Acetylglucosamine is an acylaminosugar, which is an organic compound containing a sugar linked to a chain through an N-acyl group. This compound is water-soluble. Glycosylation with beta-N-acetylglucosamine is one of the most common post-translational modifications. All animals and plants dynamically attach and remove beta-N-acetylglucosamine at serine and threonine residues on myriad nuclear and cytoplasmic proteins. beta-N-Acetylglucosamine cycling, which is tightly regulated by the concerted actions of two highly-conserved enzymes, serves as a nutrient and stress sensor. Proteins glycosylated with beta-N-acetylglucosamine can be found in almost every intracellular compartment and almost every functional class (PMID: 17460662).
N-Acetyl-b-D-galactosamine
N-acetyl-β-d-galactosamine, also known as 2-acetamido-2-deoxy-beta-D-galactopyranoside or 2-deoxy-2-acetamido-B-D-galactopyranose, is a member of the class of compounds known as N-acyl-alpha-hexosamines. N-acyl-alpha-hexosamines are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. N-acetyl-β-d-galactosamine is soluble (in water) and a very weakly acidic compound (based on its pKa). N-acetyl-β-d-galactosamine can be found in a number of food items such as opium poppy, watercress, lemon verbena, and green bean, which makes N-acetyl-β-d-galactosamine a potential biomarker for the consumption of these food products. N-Acetyl-b-D-galactosamine is an oligosaccharide residue found in the lining and glandular epithelium, the stroma and the vessels (capillary and large vessels of the human postmenopausal endometrium. (PMID: 8930627). It is suspected that N-Acetyl-b-D-galactosamine is a molecule that binds to IgA in the glomerular mesangium in Henoch-Schoenlein purpura associated nephropathy (the most common vasculitis of childhood). (PMID: 10732728).
N-Acetylmannosamine
N-Acetylmannosamine, also known as beta-ManNAcc or β-ManNAc, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. Within humans, N-acetylmannosamine participates in a number of enzymatic reactions. In particular, N-acetylmannosamine can be biosynthesized from N-acetyl-D-glucosamine, which is catalyzed by the enzyme N-acylglucosamine 2-epimerase. In addition, N-acetylmannosamine and uridine 5-diphosphate can be biosynthesized from uridine diphosphate-N-acetylglucosamine; which is mediated by the enzyme bifunctional UDP-N-acetyl glucosamine 2-epimerase / N-acetylmannosamine kinase. In humans, N-acetylmannosamine is involved in the metabolic disorder called the salla disease/infantile sialic acid storage disease pathway. In the rate-limiting step of the pathway, UDP-GlcNAc is converted into ManNAc by UDP-GlcNAc 2-epimerase, encoded by the epimerase domain of GNE. Improved sialylation after the addition of ManNAc and other supporting ingredients to the culture medium not only increases manufacturing yield, but also improves therapeutic efficacy by increasing solubility, increasing half-life and reducing immunogenicity by reducing the formation of antibodies to the therapeutic glycoprotein When the GNE epimerase kinase does not function correctly in the human body thereby reducing the available ManNAc, it is reasonable to assume that treatment with ManNAc could assist with improving health benefits. There is no available therapy to treat GNE myopathy. ManNAc is the first committed biological precursor of N-acetylneuraminic acid (Neu5Ac, sialic acid). N-Acetylmannosamine is a monosaccharide involved in a range of metabolic processes. It is an amino sugar/amino acid that consists of neuraminic acids, glycolipids and glycoproteins, and is used for the synthesis of sialic acid. [Wikipedia] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Cyclic N-Acetyl-D-mannosamine (Cyclic ManNAc) is an endogenous metabolite.
2-(Acetylamino)-2-deoxy-alpha-D-mannopyranose
D003879 - Dermatologic Agents Cyclic N-Acetyl-D-mannosamine (Cyclic ManNAc) is an endogenous metabolite. N-Acetyl-D-Glucosamine (N-Acetyl-2-amino-2-deoxy-D-glucose) is a monosaccharide derivative of glucose.
N-acetyl-alpha-D-glucosamine
An N-acetyl-D-glucosamine that has alpha-configuration at the anomeric centre.
N-Acetyl-D-galactosamine
The D-enantiomer of N-acetylgalactosamine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS D-N-Acetylgalactosamine is an endogenous metabolite.
Aldehydo-N-acetyl-D-glucosamine
Aldehydo-N-acetyl-D-glucosamine, also known as 2-acetamido-2-Deoxy-D-glucose or D-GlcNAc, is classified as a member of the Hexoses. Hexoses are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Aldehydo-N-acetyl-D-glucosamine is considered to be soluble (in water) and acidic. Aldehydo-N-acetyl-D-glucosamine is a drug which is used for the treatment and prevention of osteoarthritis, by itself or in combination with chondroitin sulfate
Hydrocotarnine
Hydrocotarnine is an alkaloid from opium (Papaver somniferum). Alkaloid from opium (Papaver somniferum). Hydrocotarnine is a Cbl inhibitor, and results in inflammasome-mediated IL-18 secretion in colitis. Hydrocotarnine increases expression of GLUT1 and cellular glucose uptake in glycolytic metabolism. Hydrocotarnine acts as an agent that provides analgesic effect in cancer research[1][2][3].
Avenic acid B
Avenic acid B is found in cereals and cereal products. Avenic acid B is a constituent of the roots of Avena sativa (oats). Constituent of the roots of Avena sativa (oats). Avenic acid B is found in oat and cereals and cereal products.
2'-Deoxysepiapterin
2-Deoxysepiapterin is a metabolite of the catabolism of tetrahydrobiopterin, present in variable amounts in various human biofluids (blood, urine, feces) and tissues (kidney, liver, adrenal, brain, and blood). (PMID 6638488, 7356152, 7374483) 2-Deoxysepiapterin can also be degraded or catabolized by microorganisms located within the cecal contents (PMID 7469409) [HMDB] 2-Deoxysepiapterin is a metabolite of the catabolism of tetrahydrobiopterin, present in variable amounts in various human biofluids (blood, urine, feces) and tissues (kidney, liver, adrenal, brain, and blood). (PMID 6638488, 7356152, 7374483) 2-Deoxysepiapterin can also be degraded or catabolized by microorganisms located within the cecal contents (PMID 7469409).
Methyl dioxindole-3-acetate
Methyl dioxindole-3-acetate is found in cereals and cereal products. Methyl dioxindole-3-acetate is isolated from rice bran. Isolated from rice bran. Methyl dioxindole-3-acetate is found in cereals and cereal products.
Methyl 5-hydroxyoxindole-3-acetate
Methyl 5-hydroxyoxindole-3-acetate is found in cereals and cereal products. Methyl 5-hydroxyoxindole-3-acetate is isolated from rice bran. Isolated from rice bran. Methyl 5-hydroxyoxindole-3-acetate is found in cereals and cereal products.
N-lactoyl-Methionine
N-lactoyl-Methionine is lactoyl derivative of methionine. N-lactoyl-amino acids are ubiquitous pseudodipeptides of lactic acid and amino acids that are rapidly formed by reverse proteolysis. A protease, cytosolic nonspecific dipeptidase 2 (CNDP2), catalyzes their formation. The plasma levels of these metabolites strongly correlate with plasma levels of lactate and amino acid. (PMID: 25964343)
N-((2R,3R,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl)acetamide
(2R,5S)-5-Amino-1,2,6,7-tetrahydroxyoctane-3,4-dione
(2R)-2-Acetamido-5-hydroxy-2-(sulfanylmethyl)pentanoic acid
Methylpolysilicone
It is used as a food additive .
Methyl 2-(2-hydroxyphenyl)-2-oxazoline-4-carboxylate
2-hydroxy-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
N-Acetyl-D-mannosamine
An N-acetylmannosamine having D-configuration. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 145 Cyclic N-Acetyl-D-mannosamine (Cyclic ManNAc) is an endogenous metabolite.
N-Methylcorydaldine
N-methylcorydaldine is a quinolone. It has a role as a metabolite. N-Methylcorydaldine is a natural product found in Thalictrum fendleri, Hernandia nymphaeifolia, and other organisms with data available. A natural product found in Arcangelisia gusanlung. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.800 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.796
N-Acetylhexosamine
N-Acetyl-D-Glucosamine (N-Acetyl-2-amino-2-deoxy-D-glucose) is a monosaccharide derivative of glucose.
4-[(1-Ethynylcyclohexyl)amino]-4-oxobut-2-enoic acid
Ethyl 2-cyano-3-[(3-methyl-5-isoxazolyl)amino]acrylate
3,4-Dihydro-8-hydroxy-6,7-dimethoxy-1-methylisoquinoline
N-(2-Hydroxyethyl)-N-methy-p-hyxycinnamamide|N-2-Hydroxyethyl-N-methyl-trans-p-hydroxyzimtsaeureamid
2-(5-Hydroxymethyl-2-formylpyrrol-1-yl)-3-methylpentanoic acid lactone|2-<2-formyl-5-(hydroxymethyl)-1-pyrrolyl>-3-methylpentanoic acid lactone
excavatine B|methyl 1,2,3,4-tetrahydro-4-hydroxy-2-oxoquinoline-4-carboxylate
3,4-Dihydro-8-oxylato-6,7-dimethoxy-2-methylisoquinolinium
6,7-dimethoxy-1-methyl-3,4-dihydroquinolin-2(1H)-one
(E)-N-<2-(methylthio)ethyl>cinnamamide|(E)-Sinharine|cinnamic acid 3-(methylthio)-ethylamide|sinharine
C12H15NOS (221.08742999999998)
(E)-omega-(methylsulfanyl)octyl-thiohydroximate
C9H19NOS2 (221.09080039999998)
N-hydroxytetrahomomethionine
An N-hydroxy-alpha-amino acid having a 7-thiaoctyl substituent at the 2-position.
N-Acetyl-D-glucosamine
The D isomer of N-acetylglucosamine. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; OVRNDRQMDRJTHS-RTRLPJTCSA-N_STSL_0234_N-Acetyl-D-glucosamine_1000fmol_190403_S2_LC02MS02_033; 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-D-Glucosamine (N-Acetyl-2-amino-2-deoxy-D-glucose) is a monosaccharide derivative of glucose.
carbofuran
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
N-Acetylgalactosamine
D-N-Acetylgalactosamine is an endogenous metabolite.
N-Acetylmannosamine
Cyclic N-Acetyl-D-mannosamine (Cyclic ManNAc) is an endogenous metabolite.
N-Acetylglucosamine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS N-Acetyl-D-Glucosamine (N-Acetyl-2-amino-2-deoxy-D-glucose) is a monosaccharide derivative of glucose.
Hydrocotarnine
Annotation level-1 Hydrocotarnine is a Cbl inhibitor, and results in inflammasome-mediated IL-18 secretion in colitis. Hydrocotarnine increases expression of GLUT1 and cellular glucose uptake in glycolytic metabolism. Hydrocotarnine acts as an agent that provides analgesic effect in cancer research[1][2][3].
Acetoacet-p-phenetidide
CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3475; ORIGINAL_PRECURSOR_SCAN_NO 3474 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3403; ORIGINAL_PRECURSOR_SCAN_NO 3402 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3456; ORIGINAL_PRECURSOR_SCAN_NO 3455 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3474; ORIGINAL_PRECURSOR_SCAN_NO 3473 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3454; ORIGINAL_PRECURSOR_SCAN_NO 3452 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3511; ORIGINAL_PRECURSOR_SCAN_NO 3510 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7918; ORIGINAL_PRECURSOR_SCAN_NO 7917 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7945; ORIGINAL_PRECURSOR_SCAN_NO 7944 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7942; ORIGINAL_PRECURSOR_SCAN_NO 7940 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7946; ORIGINAL_PRECURSOR_SCAN_NO 7943 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7935; ORIGINAL_PRECURSOR_SCAN_NO 7933 CONFIDENCE standard compound; INTERNAL_ID 1001; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7941; ORIGINAL_PRECURSOR_SCAN_NO 7940
N-Acetyl-D-galactosamine [M+Na]+; AIF; CE0; CorrDec
N-Acetyl-D-galactosamine [M+Na]+; AIF; CE10; CorrDec
N-Acetyl-D-galactosamine [M+Na]+; AIF; CE30; CorrDec
N-Acetyl-D-galactosamine [M+H-H2O]+; AIF; CE0; CorrDec
N-Acetyl-D-galactosamine [M+H-H2O]+; AIF; CE10; CorrDec
N-Acetyl-D-galactosamine [M+H-H2O]+; AIF; CE30; CorrDec
N-Acetyl-D-galactosamine [M+H-2H2O]+; AIF; CE0; CorrDec
N-Acetyl-D-galactosamine [M+H-2H2O]+; AIF; CE30; CorrDec
N-Acetyl-D-galactosamine [M+H-2H2O]+; AIF; CE10; CorrDec
N-Acetyl-D-galactosamine [M+Na]+; AIF; CE0; MS2Dec
N-Acetyl-D-galactosamine [M+Na]+; AIF; CE10; MS2Dec
N-Acetyl-D-galactosamine [M+Na]+; AIF; CE30; MS2Dec
N-Acetyl-D-galactosamine [M+H-H2O]+; AIF; CE0; MS2Dec
N-Acetyl-D-galactosamine [M+H-H2O]+; AIF; CE10; MS2Dec
N-Acetyl-D-galactosamine [M+H-H2O]+; AIF; CE30; MS2Dec
N-Acetyl-D-galactosamine [M+H-2H2O]+; AIF; CE0; MS2Dec
N-Acetyl-D-galactosamine [M+H-2H2O]+; AIF; CE10; MS2Dec
N-Acetyl-D-galactosamine [M+H-2H2O]+; AIF; CE30; MS2Dec
2-(Acetylamino)-2-deoxy-β-D-mannopyranose
Cyclic N-Acetyl-D-mannosamine (Cyclic ManNAc) is an endogenous metabolite. 2-(Acetylamino)-2-deoxy-β-D-mannopyranose. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=7772-94-3 (retrieved 2024-08-21) (CAS RN: 7772-94-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
4-(2H-isoquinolin-3-ylidene)cyclohexa-2,5-dien-1-one
2-amino-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carbonitrile
3-(TRIFLUOROMETHYL)PHENYLTRIMETHYLAMMONIUM HYDROXIDE
Ethyl 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
3-(5-METHYL-2-OXO-BENZOOXAZOL-3-YL)-PROPIONIC ACID
ethyl 5-fluoro-1-methylindole-2-carboxylate
C12H12FNO2 (221.08520240000001)
1-(methylsulfonyl)piperidine-3-carbohydrazide(SALTDATA: FREE)
METHYL 3-METHYL-5-(5-METHYLISOXAZOL-3-YL)-1H-PYRAZOLE-4-CARBOXYLATE
Methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetate
1-(4-fluoro-benzoyl)-piperidin-4-one
C12H12FNO2 (221.08520240000001)
1-(2-HYDROXY-JULOLIDIN-4-YL)-3-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-2-OXO-CYCLOBUTEN-4-OLATE
methyl 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylate
Ethyl 6-fluoro-2-methyl-1H-indole-3-carboxylate
C12H12FNO2 (221.08520240000001)
Ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate
C12H12FNO2 (221.08520240000001)
CYCLOPROPYL-PIPERIDIN-2-YLMETHYL-AMINE
C11H12ClN3 (221.07197019999998)
4-methylquinoline-2-carboximidamide,hydrochloride
C11H12ClN3 (221.07197019999998)
7-methylquinoline-2-carboximidamide,hydrochloride
C11H12ClN3 (221.07197019999998)
(5-fluoro-1H-indol-3-yl)acetic acid ethyl ester
C12H12FNO2 (221.08520240000001)
2-(2-CHLORO-BENZYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
C11H12ClN3 (221.07197019999998)
Ethyl 5-methyl-4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazine-6-carboxylate
METHYL 6-METHYL-3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-8-CARBOXYLATE
Spiro[indene-1,4-piperidine] hydrochloride
C13H16ClN (221.09712059999998)
3,4-dihydroxy-1-(phenylmethyl) 2,5-pyrrolidinedione
2-NAPHTHALENECARBOXYLIC ACID, 2-AMINO-1,2,3,4-TETRAHYDRO-8-METHOXY-
2-((1R,5S)-3-OXA-9-AZABICYCLO[3.3.1]NONAN-7-YL)ACETIC ACID HYDROCHLORIDE
C9H16ClNO3 (221.08186560000001)
4-(prop-2-enylamino)oxane-4-carboxylic acid
C9H16ClNO3 (221.08186560000001)
(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
(R)-(+)-4-(HYDROXYMETHYL)-2-OXAZOLIDINONE BENZOATE
3-(2-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid(SALTDATA: FREE)
ETHYL 6-HYDROXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLATE
methyl 2-(5-fluoro-2-methylindol-1-yl)acetate
C12H12FNO2 (221.08520240000001)
N-[1-(Hydroxymethyl)cyclopropyl]carbamic acid phenylmethyl ester
2-(4-CHLORO-BENZYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
C11H12ClN3 (221.07197019999998)
AIDA
UPF-523 (AIDA), a rigid (carboxyphenyl) glycine derivative, is a relatively potent and selective antagonist of group I metabotropic glutamate receptors (mGlu1a) with an IC50 of 214 μM. But UPF-523 has no effect on group II (mGlu2), group III (mGlu4) receptors or ionotropic glutamate receptors. UPF-523 has the potential for the research of the acute arthritis[1][2].
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
Benzothiazole, 2-(1-methylbutoxy)- (9CI)
C12H15NOS (221.08742999999998)
Neptamustine
C8H16ClN3O2 (221.09309860000002)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
ethyl 7-methyl-3,4-dihydro-2h-1,4-benzoxazine-2-carboxylate
Pyrrolidine, 2-(1Z)-1-butenyl-1-(trifluoroacetyl)- (9CI)
(4-Chloroquinazolin-2-yl)-N,N-dimethylmethanamine
C11H12ClN3 (221.07197019999998)
(4-hydroxyphenyl) (2S)-5-oxopyrrolidine-2-carboxylate
(S)-3-(Boc-amino)-1-chloro-2-butanone
C9H16ClNO3 (221.08186560000001)
2-[(Cyclopropylcarbonyl)amino]-5-hydroxybenzoic acid
Thiourea, N-(2,3-dihydro-4-methyl-1H-indol-1-yl)-N-methyl- (9CI)
3-chloro-1-aminoadamantane hydrochloride
C10H17Cl2N (221.07379820000003)
4-acetyl-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid
2-AMINO-6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID
6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE
C11H12ClN3 (221.07197019999998)
2,4-OXAZOLIDINEDIONE, 5-[(4-METHOXYPHENYL)METHYL]-
1-(3-chloro-4-methylphenyl)-3-methyl-1H-pyrazol-5-amine
C11H12ClN3 (221.07197019999998)
4-CHLORO-7-CYCLOPENTYL-7H-PYRROLO[2,3-D]PYRIMIDINE
C11H12ClN3 (221.07197019999998)
3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
(6E,10E,14E,18E)-2,3-EPOXY-2,6,10,15,19,23-EPOXY-2,6,10,15,19,23-HEXAMETHYL-6,10,14,18,22-TETRACOSAPENTAENE
N-[2-(3,4-Dihydroxyphenyl)ethyl]-2-methyl-2-Propenamide
8-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[4,5]IMIDAZO[1,2-D][1,4]DIAZEPINE
C11H12ClN3 (221.07197019999998)
5-CHLORO-2-(PIPERAZIN-1-YL)BENZONITRILE
C11H12ClN3 (221.07197019999998)
4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID
1H-INDENE-2-CARBOXYLIC ACID, 2,3-DIHYDRO-4-NITRO-, METHYL ESTER
3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
4-(5-Fluoro-1H-indol-3-yl)butanoic acid
C12H12FNO2 (221.08520240000001)
(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Butanoic acid, 4-[(3-ethylphenyl)amino]-4-oxo- (9CI)
3-[[6-CHLORO-3-PYRIDINOYL METHYL]METHYLAMINO]-2-BUTENENITRILE
C11H12ClN3 (221.07197019999998)
methyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
ETHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE
2-hydroxy-5-(2-methylprop-2-enoylamino)benzoic acid
4-(phenylethynyl)piperidine hydrochloride
C13H16ClN (221.09712059999998)
1,2-Ethanediamine,N1-(7-chloro-4-quinolinyl)-
C11H12ClN3 (221.07197019999998)
1,3-Dimethyl-4-methoxypyrazolo-[3,4-b]pyridine-5-carboxylic acid
2-(2-CHLORO-BENZYL)-4-METHYL-2H-PYRAZOL-3-YLAMINE
C11H12ClN3 (221.07197019999998)
7,8-Dimethoxy-1,3,4,5-tetrahydrobenzo[d]azepin-2-one
Pyrido[3,4-d]pyridazine-3(4H)-carboximidamide, 4,8-dihydroxy-7-methyl- (9CI)
1-benzyl-1-methyl-1,2-dihydropyridin-1-ium chloride
C13H16ClN (221.09712059999998)
4,5,6,7-tetrahydro-3-methyl-4-oxo-indole-2-carboxylicaciethylester
METHYL 1,3-DIMETHYL-5-(ISOXAZOL-5-YL)PYRAZOLE-4-CARBOXYLATE
Bis(2-methoxyethyl)aminosulphur trifluoride
C6H14F3NO2S (221.06973000000002)
1-(4-Hydroxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
1-(3-HYDROXY-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
4-Oxo-1,9a-dihydro-4H-pyrimido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
4-Amino-3-nitrobenzenesulfonic acid
C6H19NSi2.O2Si (221.07235540000002)
(5S)-5-(Hydroxymethyl)-3-[(1R)-1-phenylethyl]-2-oxazolidinone
7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
2-(Acetylamino)-2-deoxy-D-glucose labeled with carbon-13
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboximidamide,hydrochloride
C8H16ClN3O2 (221.09309860000002)
1-(2-Chlorobenzyl)-5-methyl-1H-pyrazol-3-amine
C11H12ClN3 (221.07197019999998)
N-Ethyl-N-methylcarbamic acid 3-acetylphenyl ester
(Z)-but-2-enedioic acid,2-(2-hydroxyethylamino)ethanol
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
(3R,4S)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid
Morpholine, 4-(2-phenyl-1-thioxoethyl)- (9CI)
C12H15NOS (221.08742999999998)
3-(1,3-dimethyl-1H-pyrazol-4-yl)-5-methylisoxazole-4-carboxylic acid
2-methyl-4-(2-methylsulfanylpyrimidin-4-yl)pyrazol-3-amine
(3S,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
ETHYL 6-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-2-CARBOXYLATE
ETHYL 4-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-2-CARBOXYLATE
2-acetamido-2-deoxy-D-mannose
Cyclic N-Acetyl-D-mannosamine (Cyclic ManNAc) is an endogenous metabolite.
8-Amino-2,6-anhydro-3,8-dideoxy-D-glycero-D-talo-octonic acid
2-((tert-Butoxycarbonyl)amino)-3-mercaptopropanoic acid
Ethyl 2-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
(S)-2-[[(S)-2-Hydroxypropionyl]amino]-4-(methylthio)butyric acid
Carbamic acid, diethyldithio-, trimethylsilyl ester
C8H19NS2Si (221.07281339999997)
N-((2S,3R,4S,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl)acetamide
[4-(1,3,2-Dioxaborolan-2-yloxy)methyl]benzamidine
C10H14BN2O3+ (221.10974240000002)
aldehydo-N-acetyl-D-mannosamine
An N-acetylmannosamine in open-chain aldehyde form with D-configuration.
(2S)-2-(hydroxyamino)-8-(methylsulfanyl)octanoic acid
8-aminoethyl-2,6-anhydro-3,8-dideoxy-D-glycero-D-talo-octonate
1-Amino-3-[hydroxy(methyl)phosphoryl]cyclohexane-1-carboxylic acid
2-[(2S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]guanidine
C7H15N3O5 (221.10116599999998)
6-Acetyl-2-amino-3,4a,7,8-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one
(2R)-2-Acetamido-5-hydroxy-2-(sulfanylmethyl)pentanoic acid
N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide
A natural product found in Cystobacter ferrugineus.
4-Chloro-2-(imidazolin-2-yl)isoindoline
C11H12ClN3 (221.07197019999998)
4-Carboxy-2-hydroxy-6-(3-methylbut-2-enyl)phenolate
METAXALONE
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
chitin
COVID info from PDB, Protein Data Bank, clinicaltrial, clinicaltrials, clinical trial, clinical trials An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre. Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
CROTON OIL
D003879 - Dermatologic Agents Cyclic N-Acetyl-D-mannosamine (Cyclic ManNAc) is an endogenous metabolite.
2-Amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine
A member of the class of pyrimidodiazepine 3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one bearing amino and acetyl substituents at positions 2 and 6 respectively.
1-Guanidino-1-deoxy-scyllo-inositol
C7H15N3O5 (221.10116599999998)
N-acetyl-alpha-D-mannosamine
An N-acetylmannosamine having pyranose form and alpha-D-configuration.
N-acetyl-beta-D-mannosamine
An N-acetyl-D-mannosamine having beta-configuration at its anomeric centre.
N-acetyl-beta-D-galactosamine
An N-acetyl-D-galactosamine having beta-configuration at the anomeric centre.
Aldehydo-N-acetyl-D-glucosamine
The open-chain form of N-acetyl-D-glucosamine.
N-acetyl-alpha-D-galactosamine
An N-acetyl-D-galactosamine having alpha-configuration at the anomeric centre.
(2s,3s,4r,5s,6s)-3-[(1-hydroxyethenyl)amino]-6-(hydroxymethyl)oxane-2,4,5-triol
n-[(3r,4r,5r,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
(2s,4s)-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
1-(1-isothiocyanato-2-methylpropan-2-yl)-4-methoxybenzene
C12H15NOS (221.08742999999998)
(1r,2s,7s,14r)-14-hydroxy-12-oxa-6-azatetracyclo[5.5.2.0¹,⁹.0²,⁶]tetradec-9-en-11-one
(1s,2s,7r,14r)-14-hydroxy-12-oxa-6-azatetracyclo[5.5.2.0¹,⁹.0²,⁶]tetradec-9-en-11-one
6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-8-ol
n-[(2r,3r,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
n-[2-(4-hydroxyphenyl)-2-oxoethyl]butanimidic acid
(7,8-dimethoxy-2-methyl-3,4-dihydroisoquinolin-6-ylidene)-λ³-oxidanylium
14-hydroxy-12-oxa-6-azatetracyclo[5.5.2.0¹,⁹.0²,⁶]tetradec-9-en-11-one
n-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]ethanimidic acid
(1r,2s,7s,14s)-14-hydroxy-12-oxa-6-azatetracyclo[5.5.2.0¹,⁹.0²,⁶]tetradec-9-en-11-one
6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-8-one
7,8-dimethoxy-2-methyl-3,4-dihydroisoquinolin-6-one
(1s,2r,7r,14s)-14-hydroxy-12-oxa-6-azatetracyclo[5.5.2.0¹,⁹.0²,⁶]tetradec-9-en-11-one
(9s)-4-methoxy-9-methyl-2h,6h,7h,8h,9h-[1,3]dioxolo[4,5-h]isoquinoline
(2e)-n-[2-(methylsulfanyl)ethyl]-3-phenylprop-2-enimidic acid
C12H15NOS (221.08742999999998)
n-[2-(methylsulfanyl)ethyl]-3-phenylprop-2-enimidic acid
C12H15NOS (221.08742999999998)
(1r,2r,7s,14s)-14-hydroxy-12-oxa-6-azatetracyclo[5.5.2.0¹,⁹.0²,⁶]tetradec-9-en-11-one
n-[(3s,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
(2e)-3-(methylsulfanyl)-n-(2-phenylethyl)prop-2-enimidic acid
C12H15NOS (221.08742999999998)