Exact Mass: 253.07726
Exact Mass Matches: 253.07726
Found 500 metabolites which its exact mass value is equals to given mass value 253.07726,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
L-Threoneopterin
C9H11N5O4 (253.08110059999998)
L-Threoneopterin is a catabolic product of GTP. It is synthesized by macrophages upon stimulation by interferon-gamma. It is used as a marker of HIV infection. It belongs to the chemical group known as pterins. Neopterin is a pteridine derivative present in body fluids; elevated levels result from immune system activation, malignant disease, allograft rejection, and viral infections (From Stedman, 26th ed). Neopterin also serves as a precursor in the biosynthesis of biopterin. Neopterin is a catabolic product of GTP. It is synthesised by macrophages upon stimulation with interferon-gamma. It is used as a marker of HIV infection. It belongs to the chemical group known as pterins.A pteridine derivative present in body fluids; elevated levels result from immune system activation, malignant disease, allograft rejection, and viral infections. (From Stedman, 26th ed) Neopterin also serves as a precursor in the biosynthesis of biopterin. [HMDB] Neopterin (D-(+)-Neopterin), a catabolic product of guanosine triphosphate (GTM), serves as a marker of cellular immune system activation.
Sulfamethoxazole
Sulfamethoxazole is only found in individuals that have used or taken this drug. It is a bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208)Sulfonamides inhibit the enzymatic conversion of pteridine and p-aminobenzoic acid (PABA) to dihydropteroic acid by competing with PABA for binding to dihydrofolate synthetase, an intermediate of tetrahydrofolic acid (THF) synthesis. THF is required for the synthesis of purines and dTMP and inhibition of its synthesis inhibits bacterial growth. Pyrimethamine and trimethoprim inhibit dihydrofolate reductase, another step in THF synthesis, and therefore act synergistically with the sulfonamides. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 298 CONFIDENCE standard compound; INTERNAL_ID 1018 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Proguanil
C11H16ClN5 (253.10941659999997)
Proguanil is a prophylactic antimalarial drug, which works by stopping the malaria parasite, Plasmodium falciparum and Plasmodium vivax, from reproducing once it is in the red blood cells. It does this by inhibiting the enzyme, dihydrofolate reductase, which is involved in the reproduction of the parasite. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BB - Biguanides D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D007004 - Hypoglycemic Agents > D001645 - Biguanides D009676 - Noxae > D000963 - Antimetabolites
(2-Mercaptomethyl-3-phenyl-propionyl)-glycine
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Pyricarbate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Same as: D01396
Cinnamyl anthranilate
Prohibited from use in food. Prohibited from use in food
Triamterene
Triamterene, also known as dyrenium or ademin, belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. Triamterene is a drug. While there is a lack of randomized controlled trials evaluating the use of triamterene in the treatment of Ménières disease, the typical treatment is 37.5 mg of triamterene with 25 mg of hydrochlorothiazide 1-2 capsules daily. triamterene can be converted into triamterene through the action of the enzyme solute carrier family 22 member 2. In humans, triamterene is involved in the metabolic disorder called the triamterene action pathway. Triamterene directly blocks the epithelial sodium channel (ENaC) on the lumen side of the kidney collecting tubule. Hepatic impairment: Use with caution in people with severe hepatic dysfunction; in cirrhosis, avoid electrolyte and acid/base imbalances that might lead to hepatic encephalopathy. The patents had expired on Dyazide in 1980, but complications arose with the introductions of generics, because the formulation of Dyazide resulted in variable batches that made it impossible for generic manufacturers to show that their versions were bioequivalent. D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062686 - Epithelial Sodium Channel Blockers C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics Therapeutic category: 2133 Pteridine
triamterene
D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062686 - Epithelial Sodium Channel Blockers C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics Therapeutic category: 2133 CONFIDENCE standard compound; INTERNAL_ID 638; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6193; ORIGINAL_PRECURSOR_SCAN_NO 6191 CONFIDENCE standard compound; INTERNAL_ID 638; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6227; ORIGINAL_PRECURSOR_SCAN_NO 6226 CONFIDENCE standard compound; INTERNAL_ID 638; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6223; ORIGINAL_PRECURSOR_SCAN_NO 6220 CONFIDENCE standard compound; INTERNAL_ID 638; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6239; ORIGINAL_PRECURSOR_SCAN_NO 6237 CONFIDENCE standard compound; INTERNAL_ID 638; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6243; ORIGINAL_PRECURSOR_SCAN_NO 6241 CONFIDENCE standard compound; INTERNAL_ID 638; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6249; ORIGINAL_PRECURSOR_SCAN_NO 6248 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3637 CONFIDENCE standard compound; INTERNAL_ID 1109
D-erythro-Eritadenine
C9H11N5O4 (253.08110059999998)
D-erythro-Eritadenine is found in mushrooms. D-erythro-Eritadenine is isolated from the edible shitake mushroo D004791 - Enzyme Inhibitors
Ethyl 3-methyl-9H-carbazole-9-carboxylate
Ethyl 3-methyl-9H-carbazole-9-carboxylate is found in herbs and spices. Ethyl 3-methyl-9H-carbazole-9-carboxylate is an alkaloid from the roots of Murraya koenigii (curryleaf tree). Alkaloid from the roots of Murraya koenigii (curryleaf tree). Ethyl 3-methyl-9H-carbazole-9-carboxylate is found in herbs and spices.
N-Salicyloylaspartic acid
Constituent of kidney beans (Phaseolus vulgaris) and grape (Vitis subspecies). N-Salicyloylaspartic acid is found in many foods, some of which are green bean, yellow wax bean, pulses, and fruits. N-Salicyloylaspartic acid is found in fruits. N-Salicyloylaspartic acid is a constituent of kidney beans (Phaseolus vulgaris) and grape (Vitis species).
Neopterin
C9H11N5O4 (253.08110059999998)
Neopterin, also known as monapterin, belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative and are mainly synthesized in several parts of the body, including the pineal gland. Neopterin is a solid that is soluble in water. Neopterin is a catabolic product of guanosine triphosphate (GTP). In humans, it is involved in pterine biosynthesis and it also serves as a precursor in the biosynthesis of biopterin, which is an essential cofactor in neurotransmitter synthesis. Neopterin has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces. Uremic toxins can cause kidney, liver and heart damage. They can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Uremic toxins such as neopterin are actively transported into the kidneys via organic ion transporters (especially OAT3). Elevated levels of neopterin result from immune system activation, including from malignant cancer, allograft rejection, viral infection, and autoimmune disorders (PMID: 19500901). Measurement of neopterin concentration allows estimation of the extent of oxidative stress elicited by the immune system. Neopterin concentrations usually correlate with the extent and activity of a given disease, and are also used to monitor the course of the disease. Elevated neopterin concentrations are among the best predictors of adverse outcome in patients with HIV infection, in cardiovascular disease, and in various types of cancer. Neopterin (D-(+)-Neopterin), a catabolic product of guanosine triphosphate (GTM), serves as a marker of cellular immune system activation.
Umanopterin
C9H11N5O4 (253.08110059999998)
Umanopterin is a pteridine derivative. It is identified in body fluids. An elevated level of umanopterin is associated with immune system activation, malignant diseases, allograft rejection, and viral infections. (http://www.online-medical-dictionary.org/) [HMDB] Umanopterin is a pteridine derivative. It is identified in body fluids. An elevated level of umanopterin is associated with immune system activation, malignant diseases, allograft rejection, and viral infections (http://www.online-medical-dictionary.org/). Neopterin (D-(+)-Neopterin), a catabolic product of guanosine triphosphate (GTM), serves as a marker of cellular immune system activation.
Hydroxysepiapterin
C9H11N5O4 (253.08110059999998)
3-hydroxysepiapterin is found in high concentration in the urine of patients with DHBS(dihydrobiopterin synthetase ) deficiency.(PMID: 7005193) [HMDB] 3-hydroxysepiapterin is found in high concentration in the urine of patients with DHBS(dihydrobiopterin synthetase) deficiency.(PMID: 7005193).
N-Acetylvanilalanine
C12H15NO5 (253.09501799999998)
N-acetylvanilalanine is a catecholamine metabolite. Its accumulation is indicative of aromatic L-amino acid decarboxylase deficiency (PMID: 16288991). [HMDB] N-acetylvanilalanine is a catecholamine metabolite. Its accumulation is indicative of aromatic L-amino acid decarboxylase deficiency (PMID: 16288991).
5-Hydroxyketamine
5-Hydroxyketamine is only found in individuals that have used or taken Ketamine. 5-Hydroxyketamine is a metabolite of Ketamine. 5-hydroxyketamine belongs to the family of Phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
4-Hydroxyketamine
4-Hydroxyketamine is only found in individuals that have used or taken Ketamine. 4-Hydroxyketamine is a metabolite of Ketamine. 4-hydroxyketamine belongs to the family of Phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
Dihydroferuloylglycine
C12H15NO5 (253.09501799999998)
Dihydroferuloylglycine is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-Hydroxyketamine
6-Hydroxyketamine is a metabolite of Ketamine. Ketamine is a drug used in human and veterinary medicine, primarily for the induction and maintenance of general anesthesia, usually in combination with a sedative. (Wikipedia)
N-lactoyl-Tyrosine
C12H15NO5 (253.09501799999998)
N-lactoyl-Tyrosine is lactoyl derivative of tyrosine. 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)
1-Carboxyethyltyrosine
C12H15NO5 (253.09501799999998)
2-(1,2,3,4-Tetrahydroxybutyl)thiazolidine-4-carboxylic acid
2-Fluoro-2',3'-dideoxyadenosine
C10H12FN5O2 (253.09749840000003)
2'-Fluoro-2',3'-dideoxyadenosine
C10H12FN5O2 (253.09749840000003)
3'-AZIDO-2',3'-DIDEOXYURIDINE
C9H11N5O4 (253.08110059999998)
Cridanimod
L - Antineoplastic and immunomodulating agents > L03 - Immunostimulants > L03A - Immunostimulants D007155 - Immunologic Factors > D007369 - Interferon Inducers C2140 - Adjuvant
2-Methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid
Dioxolane guanosine
C9H11N5O4 (253.08110059999998)
Furegrelate
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Novuridine
C9H11N5O4 (253.08110059999998)
tyrosine lactate
C12H15NO5 (253.09501799999998)
[(2R,3R,4R)-3,4,5-Trihydroxy-1-oxopentan-2-yl] (2R)-2-amino-3-sulfanylpropanoate
6-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
1-acetoxy-N-salicyloyl-2-aminopropan-3-ol
C12H15NO5 (253.09501799999998)
2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidine
4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid
4-(1,1-dioxido-2,3-dihydro-1-benzothien-3-yl)morpholine
Spermidine trihydrochloride
Spermidine hydrochloride maintains cell membrane stability, increases antioxidant enzymes activities, improving photosystem II (PSII), and relevant gene expression. Spermidine hydrochloride significantly decreases the H2O2 and O2.- contents[1]. Spermidine hydrochloride maintains cell membrane stability, increases antioxidant enzymes activities, improving photosystem II (PSII), and relevant gene expression. Spermidine hydrochloride significantly decreases the H2O2 and O2.- contents[1].
Viridicatol
CONFIDENCE Penicillium sp. Viridicatol, a quinolinone alkaloid, is isolated from the fermentation of an endophytic fungus Penicillium sp. R22 in Nerium indicum. Viridicatol has strong antifungal activity against Staphylococcus aureus with MIC value of 15.6 μg/mL[1].
5-(3,3-dichloro-2-methylpropyl)-4-hydroxy-3,3-dimethyl-2-pyrrolidinone|dysidamide C
C10H17Cl2NO2 (253.06362820000004)
(Z)-O-methyltridentatol B|S,S-dimethyl (Z)-2-(4-methoxyphenyl)ethenyliminodithiocarbonate
C12H15NOS2 (253.05950199999998)
methyl 4-(3,4-dihydroxybenzamido)butanoate
C12H15NO5 (253.09501799999998)
L-glutamic acid 5-[(4-hydroxyphenyl)-hydrazide]|Xanthodermin|xanthodermine
Spermidine HCl
Spermidine hydrochloride maintains cell membrane stability, increases antioxidant enzymes activities, improving photosystem II (PSII), and relevant gene expression. Spermidine hydrochloride significantly decreases the H2O2 and O2.- contents[1]. Spermidine hydrochloride maintains cell membrane stability, increases antioxidant enzymes activities, improving photosystem II (PSII), and relevant gene expression. Spermidine hydrochloride significantly decreases the H2O2 and O2.- contents[1].
sulfamethoxazole
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE standard compound; INTERNAL_ID 2343 CONFIDENCE standard compound; INTERNAL_ID 8563 CONFIDENCE Reference Standard (Level 1) CONFIDENCE standard compound; INTERNAL_ID 1018
3-hydroxy-4-(3-hydroxyphenyl)-1H-quinolin-2-one
neopterin
C9H11N5O4 (253.08110059999998)
Neopterin (D-(+)-Neopterin), a catabolic product of guanosine triphosphate (GTM), serves as a marker of cellular immune system activation.
Acyclovir (9-Carboxymethoxymethylguanine
C9H11N5O4 (253.08110059999998)
Lentysine
C9H11N5O4 (253.08110059999998)
D004791 - Enzyme Inhibitors
Ketamine metabolite (Cyclohexanone, 2-(2-chlorophenyl)-5-hydroxy-2-(methylamino)-)
Ketamine metabolite (Cyclohexanone, 2-(2-chlorophenyl)-6-hydroxy-2-(methylamino)-)
Dihydroferuloylglycine
C12H15NO5 (253.09501799999998)
2-Methyl-2-propanyl (4-amino-3-nitrophenyl)carbamate
N-(TERT-BUTOXYCARBONYL)PHOSPHORAMIDIC ACID DIETHYL ESTER
N-[1-(3-chloropyridin-2-yl)piperidin-4-yl]acetamide
C12H16ClN3O (253.09818359999997)
N-[(Benzyloxy)carbonyl]-O-methyl-D-serine
C12H15NO5 (253.09501799999998)
1-(4-FLUOROBENZOYL)-4-HYDROXY-2-PYRROLIDINECARBOXYLICACID
4H-Pyrano[2,3-b]pyridin-4-one, 2-(4-methoxyphenyl)-
Methyl N-[(benzyloxy)carbonyl]-D-serinate
C12H15NO5 (253.09501799999998)
navuridine
C9H11N5O4 (253.08110059999998)
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides 3′-Azido-2′,3′-dideoxyuridine (AzdU) is a nucleoside analog of Zidovudine (HY-17413). 3′-Azido-2′,3′-dideoxyuridine is a potent inhibitor of human immunodeficiency virus (HIV) replication in human peripheral blood mononuclear cells (PBMC) with limited toxicity for human bone marrow cells (BMC)[1][2][3]. 3′-Azido-2′,3′-dideoxyuridine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
2-Propen-1-one,1-(4-aminophenyl)-3-(4-methoxyphenyl)-
5-(ethoxycarbonylamino)benzene-1,3-dicarboxylic acid
methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate
C12H15NO5 (253.09501799999998)
N-[(Benzyloxy)carbonyl]-D-homoserine
C12H15NO5 (253.09501799999998)
4-benzo[b]thiophen-3-yl-piperidine hydrochloride
C13H16ClNS (253.06919259999998)
3-(4-TRIFLUOROMETHYL-PHENOXY)-PHENYLAMINE
C13H10F3NO (253.07144459999998)
1H-Spiro[piperidine-4,4-quinazolin]-2(3H)-one hydrochloride ( 1:1)
C12H16ClN3O (253.09818359999997)
5-[4-(Methylsulfonamido)phenyl]-2H-tetrazole
C13H10F3NO (253.07144459999998)
4-(4-(Trifluoromethyl)phenoxy)aniline
C13H10F3NO (253.07144459999998)
CYCLOPROPYLMETHYL-PYRIDIN-4-YL-AMINEDIHYDROCHLORIDE
7-bromo-1,4,4-triMethyl-1,2,3,4-tetrahydroquinoline
2-[2-(2-CHLOROETHOXY)ETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE
(3-Fluoro-5-(morpholine-4-carbonyl)phenyl)boronic acid
C11H13BFNO4 (253.09216200000003)
[Carboxymethyl-(2-hydroxy-5-methyl-benzyl)amino]acetic acid
C12H15NO5 (253.09501799999998)
5-amino-2-(phenoxy)benzotrifluoride
C13H10F3NO (253.07144459999998)
ETHYL 4-HYDROXY-2-MORPHOLINOPYRIMIDINE-5-CARBOXYLATE
n-acetyl-s-benzyl-l-cysteine
The S-benzyl derivative of N-acetyl-L-cysteine.
5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one
methyl 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxylate
METHYL 4-(5-AMINO-4-CYANO-2-FURYL)BENZOATE
C13H10F3NO (253.07144459999998)
7-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXYLIC ACID, TERT-BUTYL ESTER
(4-Chloro-3-(pyrrolidine-1-carbonyl)phenyl)boronic acid
C11H13BClNO3 (253.06769680000002)
(3-Chloro-4-(pyrrolidine-1-carbonyl)phenyl)boronic acid
C11H13BClNO3 (253.06769680000002)
5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C12H17BClNO2 (253.10408020000003)
3-Pyrrolidinecarboxylic acid, 1-[(4-chlorophenyl)methyl]-5-oxo-
2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
2-TERT-BUTOXYCARBONYLAMINO-5-HYDROXYBENZOIC ACID
C12H15NO5 (253.09501799999998)
2-(HydroxyMethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
C13H10F3NO (253.07144459999998)
Methyl 4-amino-3-(2-ethoxy-2-oxoethoxy)benzoate
C12H15NO5 (253.09501799999998)
6-bromo-1,4,4-triMethyl-1,2,3,4-tetrahydroquinoline
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C12H17BClNO2 (253.10408020000003)
ETHYL 5,8-DIFLUORO-4-OXOHYDROQUINOLINE-3-CARBOXYLATE
C12H9F2NO3 (253.05504679999999)
2-(d-arabino-tetrahydroxybutyl)-4(r)-1,3-thiazolidine-4-carboxylic acid
ETHYL 4-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
6-(4-methylbenzenesulfonyl)-2-oxa-6-azaspiro[3.3]heptane
Piperidine, 4-[[(cyclopropylmethyl)sulfonyl]methyl]-, hydrochloride (1:1)
C10H20ClNO2S (253.09032100000002)
(S)-4-METHYL-3-(4-TRIFLUOROMETHYLPHENYL)OXAZOLIDIN-2-ONE
ETHYL 3-(2-ETHOXY-2-OXOETHOXY)PICOLINATE
C12H15NO5 (253.09501799999998)
4-((TRIMETHYLSILYL)ETHYNYL)BENZENESULFONAMIDE
C11H15NO2SSi (253.05927300000002)
6-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-one
C13H10F3NO (253.07144459999998)
2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylacetate
Methyl ((benzyloxycarbonyl)amino)(methoxy)acetate
C12H15NO5 (253.09501799999998)
3-(3-TRIFLUOROMETHYL-PHENOXY)-PHENYLAMINE
C13H10F3NO (253.07144459999998)
4-Amino-3-chlorophenylboronic Acid Pinacol Ester
C12H17BClNO2 (253.10408020000003)
4-(4-ACETYL-PIPERAZIN-1-YL)-2-CHLOROANILINE
C12H16ClN3O (253.09818359999997)
4-(2-METHYL-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZOIC ACID
Vanitiolide
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
2-chloro-4-methyl-3-phenylquinoline
C16H12ClN (253.06582219999999)
4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C12H17BClNO2 (253.10408020000003)
2-chloro-7-methyl-3-phenylquinoline
C16H12ClN (253.06582219999999)
Ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate
C12H9F2NO3 (253.05504679999999)
Diethyl (4-Cyanobenzyl)phosphonate
C12H16NO3P (253.08677559999998)
Ethyl 4-chloro-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
3-(4-ACETYL-PIPERAZIN-1-YL)-4-CHLOROANILINE
C12H16ClN3O (253.09818359999997)
3-(BOC-AMINO)-4-HYDROXYBENZOIC ACID
C12H15NO5 (253.09501799999998)
1-(4-CHLORO-BENZYL)-PIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
2-NITRO-5-AMINO-3-(ACETYL-AMINO)-4-METHYLBENZOIC ACID
4-methyl-2,6-dioxo-4-phenyl-piperidine-3,5-dicarbonitrile
2-(2-Methyl-2H-pyrazol-3-yl)-quinoline-4-carboxylic acid
methyl 4-phenyl-1H-imidazo[4,5-c]pyridine-6-carboxylate
Benzamide, N-(3,4-dihydro-2H-1-benzopyran-3-yl)-, (+)- (9CI)
(6-[3-(TRIFLUOROMETHYL)PHENYL]PYRIDIN-3-YL)METHANOL
C13H10F3NO (253.07144459999998)
2-[2-(trifluoromethoxy)phenyl]aniline
C13H10F3NO (253.07144459999998)
ETHYL 3-(2-ETHOXY-2-OXOETHOXY)ISONICOTINATE
C12H15NO5 (253.09501799999998)
2-(4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL)-6-METHYLPYRIDINE
1-ISOPROPYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
7-(METHYLTHIO)-1-PROPYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-amino-6-chloro-4-Methyl-
3-Fluoro-4-(4-Morpholinylcarbonyl)benzeneboronic acid
C11H13BFNO4 (253.09216200000003)
2-Fluoro-4-(4-Morpholinylcarbonyl)benzeneboronic acid
C11H13BFNO4 (253.09216200000003)
2-Chloro-3-methylpyridine-4-boronic acid pinacol ester
C12H17BClNO2 (253.10408020000003)
ethyl 4-chloro-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
2-HYDROXY-4-BENZYLOXYCARBONYLAMINE BUTANOIC ACID
C12H15NO5 (253.09501799999998)
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile
[4-[(methylcarbamothioylamino)carbamoyl]phenyl]boronic acid
3-(6-Chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-D-alanine
1-(4-FLUOROPHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINEHYDROCHLORIDE
C12H13ClFN3 (253.07819800000001)
2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C12H17BClNO2 (253.10408020000003)
2-butanoyloxyethyl(trimethyl)azanium,bromide
C9H20BrNO2 (253.06773200000003)
2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C12H17BClNO2 (253.10408020000003)
(4-Fluoro-3-(morpholine-4-carbonyl)phenyl)boronic acid
C11H13BFNO4 (253.09216200000003)
(6-[4-(trifluoromethyl)phenyl]pyridin-3-yl)methanol
C13H10F3NO (253.07144459999998)
2-chloro-3-methylpyridine-5-boronic acid pinacol ester
C12H17BClNO2 (253.10408020000003)
2-Benzo[1,3]dioxol-5-yl-imidazo[1,2-a]pyridin-3-ylamine
3-(1,5-dihydroimidazo[1,2-b]pyridazin-2-yl)-N-oxobenzenecarboximidamide
C13H11N5O (253.09635559999998)
Acetone O-2,3,4,5,6-PFBHA-oxime
C10H8F5NO (253.05260179999996)
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
C12H13ClFN3 (253.07819800000001)
(S)-N-Carbobenzyloxy-4-amino-2-hydroxybutyricacid
C12H15NO5 (253.09501799999998)
4-chloro-6-methyl-2-phenylquinoline
C16H12ClN (253.06582219999999)
3-(4-CARBAMOYLMETHOXY-3-METHOXYPHENYL)PROPIONICACID
C12H15NO5 (253.09501799999998)
ethyl 7-amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
2-[(1,1-dimethylethoxy)carbonyl]hydrazide, 1-oxide
a,a-Dimethyl-4-(trifluoromethyl)-Benzeneethanamine-hydrochloride
C11H15ClF3N (253.08450559999997)
2-Chloro-5-Methylpyridine-3-boronic acid pinacol ester
C12H17BClNO2 (253.10408020000003)
3-(2-Methyl-5-nitro-1,3-benzodioxol-2-yl)propanoic acid
3(R)-CHLOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
1-Benzooxazol-2-yl-piperidin-4-ylaMine hydrochloride
C12H16ClN3O (253.09818359999997)
(2Z)-6-Hydroxy-7-methyl-2-(pyridin-3-ylmethylene)-1-benzofuran-3(2H)-one
2-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid
C12H15NO5 (253.09501799999998)
pfboa-propionaldehyde
C10H8F5NO (253.05260179999996)
4,6-Dihydro-pyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylic acid 5-(1,1-dimethylethyl) ester
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
(2-Fluoro-5-(morpholine-4-carbonyl)phenyl)boronic acid
C11H13BFNO4 (253.09216200000003)
3-((TERT-BUTOXYCARBONYL)AMINO)-5-HYDROXYBENZOIC ACID
C12H15NO5 (253.09501799999998)
3-[3-(Trifluoromethyl)phenoxy]-azetidine hydrochloride
N-[(2-Methyl-5-nitrophenyl)carbamothioyl]acetamide
2-(4-ACETYL-PIPERAZIN-1-YL)-5-CHLOROANILINE
C12H16ClN3O (253.09818359999997)
5-(4-CHLORO-2-NITROPHENYL)-2H-TETRAZOLE
C13H10F3NO (253.07144459999998)
N-1-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PROPANE-1,3-DIAMINE
(3-CHLOROMETHYL-PHENYL)-(4-HYDROXY-PIPERIDIN-1-YL)-METHANONE
m-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid
2-(4-ACETYL-PIPERAZIN-1-YL)-6-CHLOROANILINE
C12H16ClN3O (253.09818359999997)
2-(4-ACETYL-PIPERAZIN-1-YL)-3-CHLOROANILINE
C12H16ClN3O (253.09818359999997)
Verdiperstat
C26170 - Protective Agent > C1509 - Neuroprotective Agent COVID info from PDB, Protein Data Bank C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tesimide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-Methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid
D004791 - Enzyme Inhibitors
2-(1,2,3,4-Tetrahydroxybutyl)thiazolidine-4-carboxylic acid
2-(4-Methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole
4-Amino-N-(4-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide
2-Nitrophenylacetic acid trimethylsilyl ester
C11H15NO4Si (253.07703099999998)
3-{[(1R)-1-Benzyl-2-sulfanylethyl]amino}-3-oxopropanoic acid
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}pyridin-3-olate
C13H11N5O (253.09635559999998)
2-(2-Hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine
Cridanimod
L - Antineoplastic and immunomodulating agents > L03 - Immunostimulants > L03A - Immunostimulants D007155 - Immunologic Factors > D007369 - Interferon Inducers C2140 - Adjuvant
Pyricarbate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Same as: D01396
Erythroneopterin
C9H11N5O4 (253.08110059999998)
Neopterin is a catabolic product of guanosine triphosphate (GTP), a purine nucleotide. Neopterin belongs to the chemical group known as pteridines. It is synthesised by macrophages upon stimulation with the cytokine interferon-gamma and is indicative of a pro-inflammatory immune status. Neopterin serves as a marker of cellular immune system activation. [Wikipedia]. Erythroneopterin is found in soy bean. Neopterin (D-(+)-Neopterin), a catabolic product of guanosine triphosphate (GTM), serves as a marker of cellular immune system activation.
N-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)glycine
C12H15NO5 (253.09501799999998)
N(omega)-phosphonato-L-arginine
Conjugate base of N(omega)-phospho-L-arginine having anionic carboxy and phosphate groups and protonated amino and guanidino nitrogens.
3-(1H-indol-3-yl)propyl phosphate
C11H12NO4P-2 (253.05039219999998)
2-Amino-3-[4-(2-hydroxypropanoyloxy)phenyl]propanoic acid
C12H15NO5 (253.09501799999998)
[(2R,3R,4R)-3,4,5-Trihydroxy-1-oxopentan-2-yl] (2R)-2-amino-3-sulfanylpropanoate
6-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
Daidzein(1-)
A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of daidzein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
4-butyl-3-(3-methyl-2-thiophenyl)-1H-1,2,4-triazole-5-thione
C11H15N3S2 (253.07073499999998)
N-(2-methyl-5-tetrazolyl)-2-naphthalenecarboxamide
C13H11N5O (253.09635559999998)
2-fluoro-N-[(2-methyl-3-indolylidene)amino]aniline
(2S)-2-azaniumyl-5-oxo-5-[(2-sulfonatoethyl)amino]pentanoate
5-Nitro-2-trimethylsilyloxy-acetophenone
C11H15NO4Si (253.07703099999998)
4-Nitrophenylacetic acid trimethylsilyl ester
C11H15NO4Si (253.07703099999998)
3-Nitrophenylacetic acid trimethylsilyl ester
C11H15NO4Si (253.07703099999998)
3-Cyano-8-hydroxymethyl-4-methoxymethylazulene-1-carboxylic acid lactone
Proguanil
C11H16ClN5 (253.10941659999997)
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BB - Biguanides D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D007004 - Hypoglycemic Agents > D001645 - Biguanides D009676 - Noxae > D000963 - Antimetabolites
D-Monapterin
C9H11N5O4 (253.08110059999998)
Neopterin (D-(+)-Neopterin), a catabolic product of guanosine triphosphate (GTM), serves as a marker of cellular immune system activation.
FUREGRELATE
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
2-acetamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
C12H15NO5 (253.09501799999998)
D-erythro-Eritadenine
C9H11N5O4 (253.08110059999998)
D004791 - Enzyme Inhibitors
Cyclohexanone, 2-(2-chlorophenyl)-6-hydroxy-2-(methylamino)-
glutaurine(1-)
An organosulfonate oxoanion resulting from the deprotonation of the sulfonic acid moiety of glutaurine zwitterion. The major species at pH 7.3.
n-[(1e)-2-(4-methoxyphenyl)ethenyl]benzenecarboximidic acid
(2r)-2-[(4r)-2-iminoimidazolidin-4-yl]-3-[(2r)-4-methyl-5-oxo-2h-furan-2-yl]propanoic acid
1,2,6-trihydroxy-3-methoxy-5-[(1e)-prop-1-en-1-yl]pyrano[3,2-b]pyrrol-7-one
n-[(2s)-1-(acetyloxy)-3-hydroxypropan-2-yl]-2-hydroxybenzenecarboximidic acid
C12H15NO5 (253.09501799999998)
1,2,6-trihydroxy-3-methoxy-5-(prop-1-en-1-yl)pyrano[3,2-b]pyrrol-7-one
(2r)-2-{[hydroxy(2-hydroxyphenyl)methylidene]amino}butanedioic acid
7-hydroxybiopterin
C9H11N5O4 (253.08110059999998)
{"Ingredient_id": "HBIN013270","Ingredient_name": "7-hydroxybiopterin","Alias": "NA","Ingredient_formula": "C9H11N5O4","Ingredient_Smile": "CC(C(C1=NC2=C(NC1=O)NC(=NC2=O)N)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9852","TCMSP_id": "NA","TCM_ID_id": "21434","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2r)-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propane-1,2,3-triol
C9H11N5O4 (253.08110059999998)
[bis(methylsulfanyl)methylidene][2-(4-methoxyphenyl)ethenyl]amine
C12H15NOS2 (253.05950199999998)
methyl 5-[(1s,2s)-2-(acetyloxy)-1-hydroxypropyl]pyridine-2-carboxylate
C12H15NO5 (253.09501799999998)
5-(3,3-dichloro-2-methylpropyl)-3,3-dimethyl-4,5-dihydropyrrole-2,4-diol
C10H17Cl2NO2 (253.06362820000004)
(4s,5s)-5-[(2r)-3,3-dichloro-2-methylpropyl]-3,3-dimethyl-4,5-dihydropyrrole-2,4-diol
C10H17Cl2NO2 (253.06362820000004)
(5s)-5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
n-[1-(acetyloxy)-3-hydroxypropan-2-yl]-2-hydroxybenzenecarboximidic acid
C12H15NO5 (253.09501799999998)
3,4-dihydroxy-n-(4-methoxy-4-oxobutyl)benzenecarboximidic acid
C12H15NO5 (253.09501799999998)
[bis(methylsulfanyl)methylidene][(1z)-2-(4-methoxyphenyl)ethenyl]amine
C12H15NOS2 (253.05950199999998)
5-methyl-9h-[1,3]dioxolo[4,5-j]phenanthridin-6-one
(4s,5s)-5-(3,3-dichloro-2-methylpropyl)-3,3-dimethyl-4,5-dihydropyrrole-2,4-diol
C10H17Cl2NO2 (253.06362820000004)
1,3,6-trihydroxy-2-methoxy-5-(prop-1-en-1-yl)pyrano[3,2-b]pyrrol-7-one
1,3,6-trihydroxy-2-methoxy-5-[(1e)-prop-1-en-1-yl]pyrano[3,2-b]pyrrol-7-one
(2s)-2-amino-4-[(3-hydroxyphenyl)-c-hydroxycarbonohydrazonoyl]butanoic acid
(1r,2s)-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propane-1,2,3-triol
C9H11N5O4 (253.08110059999998)
2-{[hydroxy(2-hydroxyphenyl)methylidene]amino}butanedioic acid
methyl 5-[2-(acetyloxy)-1-hydroxypropyl]pyridine-2-carboxylate
C12H15NO5 (253.09501799999998)
4-hydroxy-5-(hydroxymethyl)-1',4'-dihydrospiro[oxolane-2,3'-pyrrolo[2,1-c][1,4]oxazine]-6'-carbaldehyde
C12H15NO5 (253.09501799999998)
(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)-1',4'-dihydrospiro[oxolane-2,3'-pyrrolo[2,1-c][1,4]oxazine]-6'-carbaldehyde
C12H15NO5 (253.09501799999998)
(2s)-2-{[hydroxy(2-hydroxyphenyl)methylidene]amino}butanedioic acid
(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-1',4'-dihydrospiro[oxolane-2,3'-pyrrolo[2,1-c][1,4]oxazine]-6'-carbaldehyde
C12H15NO5 (253.09501799999998)
(2s)-2-amino-4-[(2-hydroxyphenyl)-c-hydroxycarbonohydrazonoyl]butanoic acid
2-amino-4-[(4-hydroxyphenyl)-c-hydroxycarbonohydrazonoyl]butanoic acid
[bis(methylsulfanyl)methylidene][(1e)-2-(4-methoxyphenyl)ethenyl]amine
C12H15NOS2 (253.05950199999998)
4,5-dihydroxy-1',4'-dihydrospiro[oxane-2,3'-pyrrolo[2,1-c][1,4]oxazine]-6'-carbaldehyde
C12H15NO5 (253.09501799999998)
1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propane-1,2,3-triol
C9H11N5O4 (253.08110059999998)
2-amino-4-[(2-hydroxyphenyl)-c-hydroxycarbonohydrazonoyl]butanoic acid
(2s)-2-amino-4-[(4-hydroxyphenyl)-c-hydroxycarbonohydrazonoyl]butanoic acid
(2r,4s,5r)-4,5-dihydroxy-1',4'-dihydrospiro[oxane-2,3'-pyrrolo[2,1-c][1,4]oxazine]-6'-carbaldehyde
C12H15NO5 (253.09501799999998)