Exact Mass: 221.0607
Exact Mass Matches: 221.0607
Found 500 metabolites which its exact mass value is equals to given mass value 221.0607,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chloridazon
CONFIDENCE standard compound; EAWAG_UCHEM_ID 88 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6944; ORIGINAL_PRECURSOR_SCAN_NO 6942 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3286; ORIGINAL_PRECURSOR_SCAN_NO 3284 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3282; ORIGINAL_PRECURSOR_SCAN_NO 3279 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3278; ORIGINAL_PRECURSOR_SCAN_NO 3275 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6929; ORIGINAL_PRECURSOR_SCAN_NO 6925 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6942; ORIGINAL_PRECURSOR_SCAN_NO 6938 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6890; ORIGINAL_PRECURSOR_SCAN_NO 6885 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3352; ORIGINAL_PRECURSOR_SCAN_NO 3350 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3282; ORIGINAL_PRECURSOR_SCAN_NO 3278 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6929; ORIGINAL_PRECURSOR_SCAN_NO 6927 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6909; ORIGINAL_PRECURSOR_SCAN_NO 6907 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3278; ORIGINAL_PRECURSOR_SCAN_NO 3276 CONFIDENCE standard compound; INTERNAL_ID 3300 CONFIDENCE standard compound; INTERNAL_ID 4018 CONFIDENCE standard compound; INTERNAL_ID 2317 CONFIDENCE standard compound; INTERNAL_ID 8402
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.
L-histidinol-phosphate
L-histidinol-phosphate is a member of the class of compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. L-histidinol-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). L-histidinol-phosphate can be found in a number of food items such as sorghum, devilfish, spearmint, and deerberry, which makes L-histidinol-phosphate a potential biomarker for the consumption of these food products. L-histidinol-phosphate exists in E.coli (prokaryote) and yeast (eukaryote).
methibenzuron
CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8644; ORIGINAL_PRECURSOR_SCAN_NO 8642 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8645; ORIGINAL_PRECURSOR_SCAN_NO 8643 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8589; ORIGINAL_PRECURSOR_SCAN_NO 8584 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8593; ORIGINAL_PRECURSOR_SCAN_NO 8591 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8647; ORIGINAL_PRECURSOR_SCAN_NO 8645 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8557; ORIGINAL_PRECURSOR_SCAN_NO 8555
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
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.
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.
S-(3-Oxo-3-carboxy-n-propyl)cysteine
A cystathionine metabolite found in the urine of cystathioninuria patients; has a priming effect on 02- generation in human neutrophils (Biochemical and Biophysical Research Communications S-(3-Oxo-3-carboxy-n-propyl)cysteine, abbreviated as OCPC, is a cystathionine mono-oxo acid metabolite found in the urine of a cystathioninuria patient (PMID: 8373176).
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)
S-(2-Oxo-2-carboxyethyl)homocysteine
S-(2-Oxo-2-carboxyethyl)homocysteine, abbreviated as OCEHC, is a cystathionine mono-oxo acid metabolite found in the urine of a cystathioninuria patient (PMID: 8373176).
N-((2R,3R,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl)acetamide
5-[(Diaminomethylidene)amino]-2-(sulfanylmethyl)pentanethioic S-acid
(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-Acetylhexosamine
N-Acetyl-D-Glucosamine (N-Acetyl-2-amino-2-deoxy-D-glucose) is a monosaccharide derivative of glucose.
Ethyl 2-cyano-3-[(3-methyl-5-isoxazolyl)amino]acrylate
1-ISOTHIOCYANATO-6-(METHYLSULFONYL)-HEXANE
Acquisition and generation of the data is financially supported in part by CREST/JST.
(Z)-Dimethyl 1-methyl-4-oxoimidazolidin-2-ylidenephosphoramidate
excavatine B|methyl 1,2,3,4-tetrahydro-4-hydroxy-2-oxoquinoline-4-carboxylate
O-ethyl N-(E)-4-(methylsulfinyl)but-3-enylcarbamothioate
(E)-N-<2-(methylthio)ethyl>cinnamamide|(E)-Sinharine|cinnamic acid 3-(methylthio)-ethylamide|sinharine
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.
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.
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
methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
6-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-3-YL]BORONIC ACID
3-(5-METHYL-2-OXO-BENZOOXAZOL-3-YL)-PROPIONIC ACID
Acetamide, N-(6-amino-4-methyl-2-benzothiazolyl)- (9CI)
1-(methylsulfonyl)piperidine-3-carbohydrazide(SALTDATA: FREE)
METHYL 3-METHYL-5-(5-METHYLISOXAZOL-3-YL)-1H-PYRAZOLE-4-CARBOXYLATE
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carbonyl chloride
Methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetate
1-(2-HYDROXY-JULOLIDIN-4-YL)-3-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-2-OXO-CYCLOBUTEN-4-OLATE
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
3,4-dihydroxy-1-(phenylmethyl) 2,5-pyrrolidinedione
Urea, 1-methyl-3-(6-methyl-2-benzothiazolyl)- (8CI)
Urea, 1-methyl-1-(6-methyl-2-benzothiazolyl)- (7CI)
2-((1R,5S)-3-OXA-9-AZABICYCLO[3.3.1]NONAN-7-YL)ACETIC ACID HYDROCHLORIDE
2,3-dimethyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium
(R)-(+)-4-(HYDROXYMETHYL)-2-OXAZOLIDINONE BENZOATE
3-(2-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid(SALTDATA: FREE)
Urea, N-methyl-N-(4-methyl-2-benzothiazolyl)- (9CI)
methyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
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].
1-(4-Fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
2-CHLORO-3-METHYL-6-(PYRIDIN-4-YL)PYRIMIDIN-4(3H)-ONE
(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
Boronic acid, B-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-
(4-hydroxyphenyl) (2S)-5-oxopyrrolidine-2-carboxylate
N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide
Pyridinium,3-hydroxy-1-(phenylmethyl)-, chloride (1:1)
2-[(Cyclopropylcarbonyl)amino]-5-hydroxybenzoic acid
1H-Benzimidazole-2-carboxylic acid, 5-nitro-, Methyl ester
6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE
2,4-OXAZOLIDINEDIONE, 5-[(4-METHOXYPHENYL)METHYL]-
4,5-DIMETHYL-2-(1H-PYRROL-1-YL)THIOPHENE-3-CARBOXYLIC ACID
Ethanone,2-amino-1-(2-naphthalenyl)-, hydrochloride (1:1)
1-(3-chloro-4-methylphenyl)-3-methyl-1H-pyrazol-5-amine
4-CHLORO-7-CYCLOPENTYL-7H-PYRROLO[2,3-D]PYRIMIDINE
(R)-6-CHLORO-2,3,4,5-TETRAHYDRO-1-(4-HYDROXYPHENYL)-1H-3-BENZAZEPINE-7,8-DIOL
5-ACETYL-4-AMINO-6-METHYL-2-(METHYLTHIO)PYRIDINE-3-CARBONITRILE
(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
Acetamide, N-(2-amino-6-methyl-5-benzothiazolyl)- (9CI)
(4-(5-Amino-1,3,4-thiadiazol-2-yl)phenyl)boronic acid
8-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[4,5]IMIDAZO[1,2-D][1,4]DIAZEPINE
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-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid amide
5-FLUORO-3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
4-ALLYL-5-(2-METHYL-3-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL
5-AMINO-6-METHYL-1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-ONE
3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
sodium [bis(2-hydroxyethyl)amino]methanesulphonate
2-(3-chloro-4-methoxyphenyl)ethanamine,hydrochloride
3-[[6-CHLORO-3-PYRIDINOYL METHYL]METHYLAMINO]-2-BUTENENITRILE
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
(E)-3-PHENYL-1-(4-[(E)-(3-PHENYL-ACRYLOYL)]-PHENYL)-PROPENONE
5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
1-Methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
2-hydroxy-5-(2-methylprop-2-enoylamino)benzoic acid
(Z)-4-(2-ethoxyvinyl)-2-(Methylthio)pyrimidine-5-carbonitrile
4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole
1,3-Dimethyl-4-methoxypyrazolo-[3,4-b]pyridine-5-carboxylic acid
Methyl 3-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate
methyl 6-nitro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
3-METHYL-1,4(4H)-BENZOTHIAZINE-2-CARBOXYLIC ACID HYDRAZIDE
METHYL 1,3-DIMETHYL-5-(ISOXAZOL-5-YL)PYRAZOLE-4-CARBOXYLATE
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
(8-BROMO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)(PHENYL)METHANONE
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
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride
7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
[2-(4,5-Dichloro-3-methyl-1H-pyrazol-1-yl)butyl]amine
Urea, N-methyl-N-(7-methyl-2-benzothiazolyl)- (9CI)
Urea, N-methyl-N-(5-methyl-2-benzothiazolyl)- (9CI)
2-(Acetylamino)-2-deoxy-D-glucose labeled with carbon-13
Pyrimidine, 4-(2-fluoro-4-pyridinyl)-2-(methylthio)-
2,5-Cyclohexadien-1-one,4-[(4-hydroxyphenyl)imino]-, sodium salt (1:1)
(Z)-but-2-enedioic acid,2-(2-hydroxyethylamino)ethanol
1-(4-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
1-(2-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
2-Methoxy-5-trifluoromethylpyridine-3-boronic acid
(3R)-3-METHYL-4-(TERT-BUTY)DIPHENYLSILYLOXY)BUTANAL
3-(1,3-dimethyl-1H-pyrazol-4-yl)-5-methylisoxazole-4-carboxylic acid
(5-METHOXY-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETIC ACID
(2-(2,2,2-Trifluoroethoxy)pyridin-3-yl)boronic acid
2-methyl-4-(2-methylsulfanylpyrimidin-4-yl)pyrazol-3-amine
1-(5-Amino-2-phenyl-[1,3,4]thiadiazol-3-yl)-ethanone
3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid
2-((tert-Butoxycarbonyl)amino)-3-mercaptopropanoic acid
Ethyl 2-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Methyl 3-amino-5-methoxy-1-benzofuran-2-carboxylate
(S)-2-[[(S)-2-Hydroxypropionyl]amino]-4-(methylthio)butyric acid
Carbamic acid, diethyldithio-, trimethylsilyl ester
(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
7,8-Dihydroxy-4-oxido-7,8-dihydroquinoline-2-carboxylate
1-Amino-3-[hydroxy(methyl)phosphoryl]cyclohexane-1-carboxylic acid
(2R)-2-Acetamido-5-hydroxy-2-(sulfanylmethyl)pentanoic acid
3-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
4-Carboxy-2-hydroxy-6-(3-methylbut-2-enyl)phenolate
5-Acetoxyimino-3,7-dimethylcyclohepta-3,6-diene-1,2-dione
3,4-Dihydro-7-hydroxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylate
Eglumegad (hydrochloride)
Eglumegad (LY354740) hydrochloride is a highly potent and selective group II (mGlu2/3) receptor agonist with IC50s of 5 and 24 nM on transfected human mGlu2 and mGlu3 receptors, respectively. Eglumegad hydrochloride protects neurons from NMDA toxicity. Eglumegad hydrochloride has anxiolytic- and antipsychotic-like effects[1].
1-(1-isothiocyanato-2-methylpropan-2-yl)-4-methoxybenzene
3,4-dimethylthioquinoline
{"Ingredient_id": "HBIN007458","Ingredient_name": "3,4-dimethylthioquinoline","Alias": "NA","Ingredient_formula": "C11H11NS2","Ingredient_Smile": "CSC1=C(C2=CC=CC=C2N=C1)SC","Ingredient_weight": "221.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "613533","DrugBank_id": "NA"}
5,6-dimethoxy-n-methylphthalimide
{"Ingredient_id": "HBIN011144","Ingredient_name": "5,6-dimethoxy-n-methylphthalimide","Alias": "NA","Ingredient_formula": "C11H11NO4","Ingredient_Smile": "CN1C(=O)C2=C(C1=O)C(=C(C=C2)OC)OC","Ingredient_weight": "221.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6267","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3451419","DrugBank_id": "NA"}
