Exact Mass: 301.0497108
Exact Mass Matches: 301.0497108
Found 428 metabolites which its exact mass value is equals to given mass value 301.0497108,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fenhexamid
C14H17Cl2NO2 (301.06362820000004)
N-Acetyl-glucosamine 1-phosphate
N-Acetyl-glucosamine 1-phosphate is an intermediate in aminosugar metabolism. It is a substrate for the enzymes phosphoglucomutase 3 [EC:5.4.2.2 and EC:5.4.2.3] and UDP-N-acteylglucosamine pyrophosphorylase 1 [EC:2.7.7.23] (KEGG). It is involved in UDP-N-acetyl-D-glucosamine biosynthesis and UDP-N-acetylgalactosamine biosynthesis (BioCyc). N-Acetyl-glucosamine 1-phosphate is an intermeiate in the Aminosugars metabolism, a substrate for the enzymes phosphoglucomutase 3 [EC:5.4.2.2 5.4.2.3] and UDP-N-acteylglucosamine pyrophosphorylase 1 [EC:2.7.7.23] (KEGG), in UDP-N-acetyl-D-glucosamine biosynthesis and UDP-N-acetylgalactosamine biosynthesis (BioCyc) [HMDB] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-Acetyl-D-Glucosamine 6-Phosphate
N-Acetyl-D-Glucosamine 6-Phosphate is an intermediate in the metabolism of Aminosugars. It is a substrate for Glucosamine 6-phosphate N-acetyltransferase. [HMDB] N-Acetyl-D-Glucosamine 6-Phosphate is an intermediate in the metabolism of Aminosugars. It is a substrate for Glucosamine 6-phosphate N-acetyltransferase. KEIO_ID A144
N-Amidino-scyllo-inosamine 4-phosphate
4-Nitrophenyl β-D-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
Nocodazole
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents Same as: D05197
2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid
2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine
N-Acetylgalactosamine 4-sulphate
C8H15NO9S (301.04675000000003)
Also known as GalNAc4S, this molecule is a key component of dermatan, keratan and chondroitin sulfate. It is also a substrate for the enzyme N-acteylgalactosamine-4-sulphate transferase. This molecule is found in elevated concentrations in the urine of patients suffering from muchopolysaccharidosis type III, IV and VI. Levels are typically 300-400 times normal values. GalNAc4S is thought to be derived from the action of beta-N-acetylhexosaminidase on sulphated GlcNAc or GalNAc residues at the non-reducing end of keratan sulphate, dermatan sulphate or chondroitin sulphate. [HMDB] Also known as GalNAc4S, this molecule is a key component of dermatan, keratan and chondroitin sulfate. It is also a substrate for the enzyme N-acteylgalactosamine-4-sulphate transferase. This molecule is found in elevated concentrations in the urine of patients suffering from muchopolysaccharidosis type III, IV and VI. Levels are typically 300-400 times normal values. GalNAc4S is thought to be derived from the action of beta-N-acetylhexosaminidase on sulphated GlcNAc or GalNAc residues at the non-reducing end of keratan sulphate, dermatan sulphate or chondroitin sulphate.
N-Acetyl-D-mannosamine 6-phosphate
N-Acetyl-D-mannosamine 6-phosphate is an intermediate in amino sugar metabolism and is a substrate for UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase, Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase, Alpha-N-acetylglucosaminidase and Exostosin-2. It can be generated from N-acetyl-neuraminate-9-phosphate or N-acetyl-D-mannosamine. [HMDB] N-Acetyl-D-mannosamine 6-phosphate is an intermediate in amino sugar metabolism and is a substrate for UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase, Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase, Alpha-N-acetylglucosaminidase and Exostosin-2. It can be generated from N-acetyl-neuraminate-9-phosphate or N-acetyl-D-mannosamine.
N-acetyl-alpha-D-galactosamine 1-phosphate
N-acetyl-alpha-d-galactosamine 1-phosphate is part of the Galactose metabolism, and Amino sugar and nucleotide sugar metabolism pathways. It is a substrate for: N-acetylgalactosamine kinase.
Benoxaprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
N-Acetylgalactosamine 6-sulfate
C8H15NO9S (301.04675000000003)
KEIO_ID A184
N-Acetylglucosamine 6-sulfate
C8H15NO9S (301.04675000000003)
N-acetylglucosamine 6-sulfate is a physiological intermediate during the degradation of keratan sulfate and it is usually hydrolyzed intralysosomally by N-acetylglucosamine-6-sulfate sulfatase. (PMID 3161730) [HMDB] N-acetylglucosamine 6-sulfate is a physiological intermediate during the degradation of keratan sulfate and it is usually hydrolyzed intralysosomally by N-acetylglucosamine-6-sulfate sulfatase. (PMID 3161730).
Citpressine I
Citpressine I is found in citrus. Citpressine I is an alkaloid from the root of bark of Citrus depressa (Shekwasha mandarin
Citrusinine I
Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange) and Citrus grandis (pummelo). Citrusinine I is found in sweet orange and citrus. Citrusinine I is found in citrus. Citrusinine I is an alkaloid from the root bark of Citrus sinensis var. brasiliensis (navel orange) and Citrus grandis (pummelo
gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine
gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is found in pulses. gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is a constituent of Lens culinaris (lentil). Constituent of Lens culinaris (lentil). gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is found in pulses.
N-Acetylgalactosamine 6-sulfate
C8H15NO9S (301.04675000000003)
N-Acetylgalactosamine 6-sulfate is found in keratan sulfate and chondroitin 6-sulfate. PMID: 12489154. Morquio syndrome is caused by an abnormal accumulation of mucopolysaccharides - in this case, keratan sulfate - in the body. Keratan sulfate is excreted in urine. The symptoms vary from patient to patient, and may include hearing loss, cataracts, skeletal dysplasia, spinal instability, and minor respiratory issues, among others. Two forms are recognized, type A and type B. Type A is a deficiency of the enzyme N-acetylgalactosamine-6-sulfate sulfatase. (Wikipedia). N-Acetylgalactosamine 6-sulfate is found in keratan sulfate and chondroitin 6-sulfate.
N-Acetylglucosamine 6-phosphate
N-Acetylglucosamine 6-phosphate (CAS: 1746-32-3), also known as GlcNAc6P, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through an N-acyl group. Outside of the human body, N-acetylglucosamine 6-phosphate has been detected, but not quantified in, several different foods, such as butternut squash, breakfast cereals, babassu palms, vaccinium (blueberry, cranberry, huckleberry), and cauliflowers. This could make N-acetylglucosamine 6-phosphate a potential biomarker for the consumption of these foods. N-Acetylglucosamine 6-phosphate has been identified in the human placenta (PMID: 32033212).
N-Acetyl-D-galactosamine 1-phosphate
N-Acetyl-D-galactosamine 1-phosphate is an intermediate in amino sugar metabolism. The enzyme UDP-N-acetylgalactosamine diphosphorylase catalyzes the conversion of this metabolite into UDP-N-acetyl-D-galactosamine. In the same pathway, the enzyme N-acetylgalactosamine kinase catalyzes the phosphorylation of this metabolite from N-Acetyl-D-galactosamine using ATP or ITP. These two reactions are irreversible and occur in the cytosol. (BiGG database) [HMDB] N-Acetyl-D-galactosamine 1-phosphate is an intermediate in amino sugar metabolism. The enzyme UDP-N-acetylgalactosamine diphosphorylase catalyzes the conversion of this metabolite into UDP-N-acetyl-D-galactosamine. In the same pathway, the enzyme N-acetylgalactosamine kinase catalyzes the phosphorylation of this metabolite from N-Acetyl-D-galactosamine using ATP or ITP. These two reactions are irreversible and occur in the cytosol. (BiGG database).
N-Acetylmannosamine-6P
N-Acetylmannosamine-6P, also known as N-acetylmannosamine 6-phosphate or ManNAc-6-P, is a member of the class of compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through an N-acyl group. N-Acetylmannosamine-6P is soluble (in water) and a moderately acidic compound (based on its pKa).
2-(Acetylamino)-2-Deoxy-6-O-Sulfo-alpha-D-Glucopyranose
C8H15NO9S (301.04675000000003)
2-Chloroadenosine
C10H12ClN5O4 (301.05777820000003)
4-Nitrophenyl beta-D-glucopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
3,4-Dehydrochlorambucil
C14H17Cl2NO2 (301.06362820000004)
8-Chloroadenosine
C10H12ClN5O4 (301.05777820000003)
Azinphosmethyl oxon
Benoxaprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
Bisulepine
(5-Acetamido-3,4,6-trihydroxyoxan-2-yl)methyl dihydrogen phosphate
2,5,7-trihydroxy-4'-methoxyisoflavanone
2,5,7-trihydroxy-4-methoxyisoflavanone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,5,7-trihydroxy-4-methoxyisoflavanone can be found in a number of food items such as rapini, medlar, endive, and sea-buckthornberry, which makes 2,5,7-trihydroxy-4-methoxyisoflavanone a potential biomarker for the consumption of these food products.
3-Hydroxycinnamoylglycine sulfate
dimethachlor ESA
C13H19NO5S (301.09838840000003)
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(2-methoxyethyl)amino group at position 2. It is a metabolite of the herbicide dimethachlor. CONFIDENCE standard compound; INTERNAL_ID 2555 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2535 EAWAG_UCHEM_ID 2535; CONFIDENCE standard compound
N-Acetyl-D-galactosamine 4-sulfate
C8H15NO9S (301.04675000000003)
N-(2H-1,4-benzothiazin-3-yl)-4-fluorobenzohydrazide
C15H12FN3OS (301.06850740000004)
(2-TRIFLUOROMETHYL-QUINOLIN-4-YLSULFANYL)-ACETIC ACID HYDRAZIDE
1-(4-bromophenyl)-1,4-dihydro-3(2H)-isoquinolinone
5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
C15H12ClN3S (301.04404220000004)
3,4-Dihydro-1-methoxy-5-(dimethylamino)-8-(methoxythio)-1H-2-benzothiopyran-6-ol
5,6-Dihydro-N-[3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenyl]-2(1H)--pyridinone|N-(3-Methoxy-4,5-methylenedioxycinnamoyl)-Delta3-pyridin-2-one
4-Hydroxypyridyl-3-oic acid 4-O-glucopyranoside|4-hydroxypyridyn-3-oic acid 4-O-glucopyranoside
(5,8-dihydro-7-hydroxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl (2Z)-2-methyl-2-butenoate|demethylrenierone|O-Demethylrenierone
[(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]phosphonic acid
Dimethachlor-ESA
C13H19NO5S (301.09838840000003)
CONFIDENCE standard compound; INTERNAL_ID 2043
Fenhexamid
C14H17Cl2NO2 (301.06362820000004)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3057
peonidin
Acquisition and generation of the data is financially supported in part by CREST/JST.
1,5-dihydroxy-2,3-dimethoxy-10-methylacridin-9-one
2-Chloroadenosine
C10H12ClN5O4 (301.05777820000003)
2-Chloroadenosine, a stable adenosine analogue, protects against long term development of ischaemic cell loss in the rat hippocampus. 2-Chloroadenosine is an apparent competitive inhibitor of uridine influx (apparent Ki=33 μM) and high-affinity nitrobenzylthioinosine binding (apparent Ki=0.18 mM). 2-Chloroadenosine is a transported permeant for the nucleoside transporter in human erythrocytes[1][2].
p-[N-Propyl-N-(3-hydroxypropyl)sulfamoyl]benzoic acid
C13H19NO5S (301.09838840000003)
p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic acid
C13H19NO5S (301.09838840000003)
2-CADO
C10H12ClN5O4 (301.05777820000003)
2-Chloroadenosine, a stable adenosine analogue, protects against long term development of ischaemic cell loss in the rat hippocampus. 2-Chloroadenosine is an apparent competitive inhibitor of uridine influx (apparent Ki=33 μM) and high-affinity nitrobenzylthioinosine binding (apparent Ki=0.18 mM). 2-Chloroadenosine is a transported permeant for the nucleoside transporter in human erythrocytes[1][2].
N-Acetyl-D-galactosamine 1-phosphate
A D-galactosamine 1-phosphate compound having an N-acetyl substituent.
g-Glutamyl-b-(isoxazolin-5-on-2-yl)alanine
N-acetyl-alpha-D-galactosamine 1-phosphate
The alpha-anomer of N-acetyl-D-galactosamine 1-phosphate.
peonidin
An anthocyanidin cation that is flavylium bearing four hydroxy substituents at positions 3, 4, 5 and 7 as well as a methoxy substituent at position 3.
4-CHLORO-2-PYRIDIN-3-YL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
C15H12ClN3S (301.04404220000004)
ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)acetate
7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one
3-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]benzoic acid
7-chloro-5-(2-fluorophenyl)-N-methyl-3H-1,4-benzodiazepin-2-amine
C16H13ClFN3 (301.07819800000004)
5-(2-Chlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
5-(3-Chlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
5-(3-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
(1S,4R)-4-[2-amino-6-chloro-9H-purin-9-yl]-2-cyclopentene-1-methanol hydrochloride
1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
4-(2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYLAMINO)-BUTYRIC ACID
1,1,1,3,3,3-HEXAFLUORO-2-(4-(PROPYLAMINO)PHENYL)PROPAN-2-OL
2-THIAZOLECARBOXYLICACID,4-[3-(TRIFLUOROMETHYL)PHENYL]-,ETHYLESTER
4-[(1,3-dioxybutyl)amino]-5-methoxy-2-methyl-benzenesulfonic acid
ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C13H16ClNO3S (301.05393760000004)
(3-BROMOPROPYL)TRIETHYLAMMONIUM BROMIDE
C9H21Br2N (301.00406260000005)
3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
2-[[(3,5-DIMETHOXYPHENYL)AMINO]CARBONYL]-BENZOIC ACID
ethyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
sodium,2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate,prop-2-enoic acid
1-(benzenesulfonyl)indole-2-carboxylic acid
C15H11NO4S (301.04087660000005)
N-(4-(N-(Thiazol-2-yl)sulfamoyl)phenyl)acetamide-d4
2-(4-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
2-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-4-METHYLPENTANOIC ACID
C13H19NO5S (301.09838840000003)
2-methyl-3-(3-sulfatobutyl)benzothiazolium betaine
ethyl N-[3-(dimethylcarbamoyl)pyridin-2-yl]sulfonylcarbamate
Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate
5-(2-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-(3-NITROPHENOXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL
(1-(5-Bromo-3-nitropyridin-2-yl)pyrrolidin-3-yl)methanol
2-((BENZO[D]THIAZOL-2-YLTHIO)METHYL)BENZOIC ACID
C15H11NO2S2 (301.02311860000003)
ETHYL 2-CHLORO-2-(2-(4-METHOXY-2-NITROPHENYL)HYDRAZONO)ACETATE
C11H12ClN3O5 (301.04654519999997)
2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
(Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid
1-(PHENYLSULFONYL)-1H-INDOLE-3-CARBOXYLIC ACID
C15H11NO4S (301.04087660000005)
ETHYL 2-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOLE-4-CARBOXYLATE
Ethyl 2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydrooxazole-4-carboxylate
METHYL 3-AMINO-4-[(2-FURYLMETHYL)SULFONYL]THIOPHENE-2-CARBOXYLATE
Ethyl 4-hydroxy-6-(trifluoromethoxy)quinoline-3-carboxylate
4-Bromo-2-fluoropyridine-3-boronic acid pinacol ester
4-Nitrophenyl α-D-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)-
Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
ethyl N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)carbamate
1-(2-CHLORO-3-PYRIDYL)-2,5-DIHYDRO-1H-PYRROLE-2,5-DIONE
4-BENZYL-5-(2-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
C15H12ClN3S (301.04404220000004)
O-BENZOYL-N-(2-CHLOROETHYL)-N-METHYLBENZAMIDE
C17H16ClNO2 (301.08695059999997)
Amiloride HCl dihydrate
D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062686 - Epithelial Sodium Channel Blockers D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062646 - Acid Sensing Ion Channel Blockers C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
1-(2,5-DIMETHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID
7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid
tert-Butyl 3-bromo-5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate
2-(2-Aminothiazole-4-yl)-2-[2-(tert-butoxycarbonyl)-methoxyimino]acetic acid
4-Chloro-5-[(1-methyl-4-piperidinyl)oxy]-3-quinolinecarbonitrile
C16H16ClN3O (301.09818359999997)
6-Chloroguanineriboside
C10H12ClN5O4 (301.05777820000003)
6-Chloroguanineriboside (6-Chloroguanosine) is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
(2-PHENYL-1,3-THIAZOL-4-YL)ACETONITRILE
C15H11NO2S2 (301.02311860000003)
4-benzyl-5-(4-chloro-phenyl)-4h-[1,2,4]triazole-3-thiol
C15H12ClN3S (301.04404220000004)
5-methoxy-2-methyl-3-(3-sulfopropyl)benzothiazolium inner salt
4(1H)-Quinolinone,2,3-dihydro-1-[(4-methylphenyl)sulfonyl]-
7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinazolin-4-one
2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
3,5-Bis(trifluoromethyl)-DL-phenylalanine
C11H9F6NO2 (301.05374459999996)
N-(4-BROMOPHENYL)-1-METHYL-1H-BENZO[D]IMIDAZOL-2-AMINE
4-METHOXY-3-(MORPHOLIN-4-YLSULPHONYL)BENZENEBORONIC ACID
C11H16BNO6S (301.07913460000003)
5-(3,4-DICHLOROBENZYL)-4-PROPYL-1,2,4-TRIAZOLE-3-THIOL
C12H13Cl2N3S (301.02071980000005)
1-BENZYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
1-(4-Iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-cyanoacetamide
(2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl)methanamine
1-(4-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
C17H16ClNO2 (301.08695059999997)
6-Chloro-2-(4-chlorophenyl)imidazo[1,2-α]pyridine-3-acetonitrile
Methyl 5-amino-2-(2-(methoxycarbonyl)phenoxy)benzoate
DIMETHYL 5-(N-METHYLMETHYLSULFONAMIDO)ISOPHTHALATE
(6-bromopyridin-2-yl)methoxy-tert-butyl-dimethylsilane
C12H20BrNOSi (301.04974500000003)
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-(2-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Benzenesulfonyl chloride, 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]
methyl 2-[2-(trifluoromethyl)quinolin-4-yl thio]-acetate
Pramipexole dihydrochloride hydrate
C10H21Cl2N3OS (301.07823160000004)
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D020011 - Protective Agents > D000975 - Antioxidants Pramipexole dihydrochloride hydrate is a selective and blood-brain barrier (BBB) penetrant dopamine D2-type receptor agonist, with Kis of 2.2 nM, 3.9 nM, 0.5 nM and 1.3 nM for D2-type receptor, D2, D3 and D4 receptors, respectively. Pramipexole dihydrochloride hydrate can be used for the research of Parkinson's disease (PD) and restless legs syndrome (RLS)[1][2][3].
8-Chloroadenosine
C10H12ClN5O4 (301.05777820000003)
8-Chloroadenosine (8-Cl-Ado), a unique ribonucleoside analog, depletes endogenous ATP that subsequently induces the phosphorylation and activation of AMPK. 8-Chloroadenosine induces autophagic cell death. 8-Chloroadenosine effectively inhibited in vivo tumor growth in mice[1]. 8-Chloroadenosine (8-Cl-Ado), a unique ribonucleoside analog, depletes endogenous ATP that subsequently induces the phosphorylation and activation of AMPK. 8-Chloroadenosine induces autophagic cell death. 8-Chloroadenosine effectively inhibited in vivo tumor growth in mice[1].
(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
5-Chloro-2-((R)-5-methyl-[1,4]diazepan-1-yl)benzooxazole hydrochloride
C13H17Cl2N3O (301.07486120000004)
ethyl 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetate
Benzyl (1-(4-chlorophenyl)cyclopropyl)carbamate
C17H16ClNO2 (301.08695059999997)
Benzyl (1-(3-chlorophenyl)cyclopropyl)carbamate
C17H16ClNO2 (301.08695059999997)
Ocinaplon
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Ocinaplon (DOV 273547) is a partial GABAA receptor positive allosteric modulator with relatively high efficacy at the α1 subunit[1].
1-(4-AMINO-3-TRIFLUOROMETHYL-PHENYL)-ETHANONE
C13H19NO5S (301.09838840000003)
(4-Methoxy-3-(Morpholinosulfonyl)phenyl)boronic acid
C11H16BNO6S (301.07913460000003)
tert-Butyl1-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
benzyl 4-oxo-2-(trifluoromethyl)piperidine-1-carboxylate
3-(4-chlorophenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
C15H12ClN3S (301.04404220000004)
tert-Butyl 3-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
3-AMINO-3-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
C11H9F6NO2 (301.05374459999996)
2-(6-Methoxy-3-oxocyclohexa-1,4-dienylcarbamoyl)phenyl acetate compound with MethoxyMethane (1:1)
5-Bromo-2-fluoropyridine-3-boronic acid pinacol ester
3-bromo-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-THIOPHENECARBOXYLIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-4-(HYDROXYMETHYL)-, ETHYL ESTER
C13H19NO5S (301.09838840000003)
(R)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine dihydrochloride hydrate
C10H21Cl2N3OS (301.07823160000004)
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D020011 - Protective Agents > D000975 - Antioxidants
1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-dichlorophenyl)-beta-methoxy-alpha-methyl-
9-(b-D-Arabinofuranosyl)-8-chloroadenine
C10H12ClN5O4 (301.05777820000003)
(E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
C14H17Cl2NO2 (301.06362820000004)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
(E)-1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
C17H16ClNO2 (301.08695059999997)
(4-Chlorophenyl)-[4-(2-pyridinyl)-1-piperazinyl]methanone
C16H16ClN3O (301.09818359999997)
N-(1,3-dioxo-4-isoindolyl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
3-[[Cyclopropyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
2-[(4-chlorophenyl)sulfanyl]-1-methyl-1H-indole-3-carbaldehyde
C16H12ClNOS (301.03280920000003)
3-(4-Chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
C15H12ClN3S (301.04404220000004)
3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole
C16H12ClNOS (301.03280920000003)
6-[5-(2-Fluorophenyl)-3-pyrazolidinylidene]-4-nitro-1-cyclohexa-2,4-dienone
2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
Tazobactam trans-enamine intermediate
C10H13N4O5S- (301.06066280000005)
3-[5-(2-Nitropent-1-En-1-Yl)furan-2-Yl]benzoic Acid
nocodazole
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents Same as: D05197
8-Chloroadenosine
C10H12ClN5O4 (301.05777820000003)
Calamene is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Calamene is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Calamene can be found in a number of food items such as common oregano, star anise, german camomile, and sweet bay, which makes calamene a potential biomarker for the consumption of these food products.
N-Acetyl-D-glucosamine-6-phosphate
N-acetylglucosamine 6-phosphate, also known as glcnac6p, is a member of the class of compounds known as acylaminosugars. Acylaminosugars are organic compounds containing a sugar linked to a chain through N-acyl group. N-acetylglucosamine 6-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). N-acetylglucosamine 6-phosphate can be found in a number of food items such as mountain yam, grass pea, rubus (blackberry, raspberry), and angelica, which makes N-acetylglucosamine 6-phosphate a potential biomarker for the consumption of these food products.
2-(Acetylamino)-2-Deoxy-6-O-Sulfo-alpha-D-Glucopyranose
C8H15NO9S (301.04675000000003)
1,5-Dihydroxy-2,3-dimethoxy-10-methyl-9-acridone
A natural product found in Citropsis articulata.
2,5,7-trihydroxy-4'-methoxyisoflavanone
2,5,7-trihydroxy-4-methoxyisoflavanone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,5,7-trihydroxy-4-methoxyisoflavanone can be found in a number of food items such as rapini, medlar, endive, and sea-buckthornberry, which makes 2,5,7-trihydroxy-4-methoxyisoflavanone a potential biomarker for the consumption of these food products.
2-(Acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose
C8H15NO9S (301.04675000000003)
Methyl 2,2-dichloro-3-hydroxy-4-(methoxycarbonylamino)-5-methylhexanoate
Hesperetin(1-)
A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group.
Quercetin-7-olate
Conjugate base of quercetin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
Tricetin(1-)
The conjugate base of tricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3.
N-acetyl-L-aspartyl-L-glutamate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D009676 - Noxae > D009498 - Neurotoxins D018926 - Anti-Allergic Agents D020011 - Protective Agents
6-O-Sulfo-2-(acetylamino)-2-deoxy-D-glucopyranose
C8H15NO9S (301.04675000000003)
(2R,3S)-2,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate
2-[2,3-Dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate
C13H11Cl2O4- (301.00343660000004)
4-(3-Acetyl-5-hydroxy-4-oxo-1,4-dihydronapthalen-2-yl)-3-oxobutanoate
4-[(Z)-(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,6-dihydroxyphenolate
N-Acetyl-alpha-D-glucosamine 3-sulfate
C8H15NO9S (301.04675000000003)
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-olate
(2S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate
aldehydo-N-acetyl-D-mannosamine 6-phosphate
An aldehydo-N-acyl-D-mannosamine 6-phosphate that has acetyl as the acyl group.
2-hydroxy-6-methyl-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]pyran-4-one
1-Tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiourea
N-(3-(2-Nitrophenyl)-2-propenylidene)-2-thiophenecarbohydrazide
4-(2-furanylmethyl)-3-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
1-Carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium
2-[[[4-(Methylthio)anilino]-oxomethyl]amino]benzamide
2-[[1-Oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester
2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
[4-[Oxo(thiophen-2-yl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone
3,3-Dimethyl-1-[4-(trifluoromethoxy)phenyl]piperidine-2,6-dione
2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamide
C17H16ClNO2 (301.08695059999997)
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide
2-Thiophenecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester
C15H11NO4S (301.04087660000005)
Acetic acid [4-[(4-hydroxyanilino)-oxomethyl]-2-methoxyphenyl] ester
2-Pyrazinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester
N-(2,1,3-benzothiadiazol-5-yl)-2,4-dimethyl-6-oxo-3-pyrancarboxamide
2,5-Dioxo-1-phenyl-1,4-dihydropyrrolo[1,2-a]quinazoline-3-carbonitrile
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
3-Ethoxy-6-[4-(2-methyl-4-thiazolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolamine
1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-2-thiazolyl)amino]ethanone
3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
3-(3-chlorophenyl)azo-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
(E)-N-(Benzimidazol-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
(E)-3-[3-[(4-chlorobenzoyl)amino]phenyl]prop-2-enoic acid
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
N-acetyl-beta-D-galactosamine 1-phosphate
The beta-anomer of N-acetyl-D-galactosamine 1-phosphate.
1-[(4-Chlorophenyl)methyl]-5-methyl-3-(oxidoamino)indol-2-ol
[(6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
3-Phenyl-4-(2,4-difluorobenzoyl)isoxazol-5(4H)-one
3-Phenyl-4-(2,6-difluorobenzoyl)isoxazol-5(4H)-one
3-[(3-Acetyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid
N-Acetyl-alpha-D-glucosamine 1-phosphate
A 2-acetamido-2-deoxy-D-glucopyranose 1-phosphate having alpha-configuration at the anomeric centre.
N-Acetyl-D-Glucosamine 6-Phosphate
An N-acyl-D-glucosamine 6-phosphate that is the N-acetyl derivative of D-glucosamine 6-phosphate. It is a component of the aminosugar metabolism.
N-Acetylglucosamine-1-phosphate
A N-acetyl-D-glucosamine 1-phosphate that is 2-deoxy-D-glucopyranose 1-(dihydrogen phosphate) substituted by an acetamido group at position 2. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-Acetyl-D-galactosamine 6-sulfate
C8H15NO9S (301.04675000000003)
2-Deoxy-2-acetamido-beta-D-galactose-4-sulfate
C8H15NO9S (301.04675000000003)
delphinidin(1-)
An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of delphinidin; major species at pH 7.3.
2-(Acetylamino)-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
N-acetyl-D-hexosamine 1-phosphate
Ac-Asp-Glu(3-)
A peptide anion obtained by deprotonation of the three carboxy groups of N-acetyl-Asp-Glu; major species at pH 7.3.
Muscarine (iodide)
Muscarine ((+)-Muscarine) iodide is a toxin that can stimulate the parasympathetic nervous system. Muscarine iodide is a prototype muscarinic acetylcholine receptor agonist[1][2].
2-hydroxy-3-(2-hydroxyethyl)-8-methoxy-10-methyl-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1,4,7,9(13),10-pentaene-6,12-dione
5-(dimethylamino)-1-methoxy-8-(methoxysulfanyl)-3,4-dihydro-1h-2-benzothiopyran-6-ol
2,12,15-triazapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,3(8),4,6,9(21),10,12,14(19)-octaene-18,20-dione
n-[(2s,3r,4r,5s,6r)-2,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-3-yl]ethanimidic acid
12-hydroxy-3,11,21-triazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,13,15,17,19-nonaen-10-one
2-{9-hydroxy-1-methyl-5,10-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-3-yl}ethanimidic acid
2-[(1s,3r)-9-hydroxy-1-methyl-5,10-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-3-yl]ethanimidic acid
4-hydroxypyridyl-3-oicacid 4-o-glucopyrano-side
{"Ingredient_id": "HBIN010571","Ingredient_name": "4-hydroxypyridyl-3-oicacid 4-o-glucopyrano-side","Alias": "NA","Ingredient_formula": "C12H15NO8","Ingredient_Smile": "C1=CN=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10669","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
betain
{"Ingredient_id": "HBIN018162","Ingredient_name": "betain","Alias": "NA","Ingredient_formula": "C16H15NO3S","Ingredient_Smile": "C1=CC=C2C(=C1)C=C3C=CC=CC3=[N+]2CCCS(=O)(=O)[O-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23390","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(12s)-12-hydroxy-3,11,21-triazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,13,15,17,19-nonaen-10-one
(1r,2r,3s,4s,5r,9s,11s,12s,14r)-2-(hydroxymethyl)-7-imino-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1³,¹².0⁵,¹¹.0⁵,¹⁴]pentadecane-2,4,12-triol
8-hydroxy-3,10,20-triazapentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(20),2,7,9(21),10,12,14(19),15,17-nonaen-6-one
4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyridine-3-carboxylic acid
2-[(1r,3s)-9-hydroxy-1-methyl-5,10-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-3-yl]ethanimidic acid
[(2r,3s,4r,5r,6s)-3,4,6-trihydroxy-5-[(1-hydroxyethenyl)amino]oxan-2-yl]methoxyphosphonic acid
[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethenyl)amino]-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid
19-hydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4(9),5,7,11,15,17,19-nonaen-14-one
1-methyl-12-(methylsulfanyl)-3,13,15-triazatetracyclo[10.2.2.0²,¹⁰.0⁴,⁹]hexadeca-2(10),4,6,8,13,15-hexaene-14,16-diol
2-(hydroxymethyl)-7-imino-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1³,¹².0⁵,¹¹.0⁵,¹⁴]pentadecane-2,4,12-triol
(1r,12s)-1-methyl-12-(methylsulfanyl)-3,13,15-triazatetracyclo[10.2.2.0²,¹⁰.0⁴,⁹]hexadeca-2(10),4,6,8,13,15-hexaene-14,16-diol
(2s)-2-amino-4-{[(1s)-1-carboxy-2-(5-oxo-1,2-oxazol-2-yl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
n-[(3r,4r,5s,6r)-2,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-3-yl]ethanimidic acid
n-[4,5-dihydroxy-6-(hydroxymethyl)-2-(phosphonooxy)oxan-3-yl]ethanimidic acid
n-(1,1,1-trichlorodecan-2-yl)ethanimidic acid
C12H22Cl3NO (301.07668920000003)