Exact Mass: 253.1076
Exact Mass Matches: 253.1076
Found 500 metabolites which its exact mass value is equals to given mass value 253.1076,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Irgarol
CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8830; ORIGINAL_PRECURSOR_SCAN_NO 8829 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8893; ORIGINAL_PRECURSOR_SCAN_NO 8891 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8806; ORIGINAL_PRECURSOR_SCAN_NO 8802 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8852; ORIGINAL_PRECURSOR_SCAN_NO 8850 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8810 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8875 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1011 CONFIDENCE standard compound; EAWAG_UCHEM_ID 302 CONFIDENCE standard compound; INTERNAL_ID 4008 CONFIDENCE standard compound; INTERNAL_ID 8798 CONFIDENCE standard compound; INTERNAL_ID 4034
L-Threoneopterin
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.
Proguanil
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
Penciclovir
Penciclovir is only found in individuals that have used or taken this drug. It is a guanine analogue antiviral drug used for the treatment of various herpesvirus infections. It is a nucleoside analogue which exhibits low toxicity and good selectivity. [Wikipedia]Penciclovir has in vitro activity against herpes simplex virus types 1 (HSV-1) and 2 (HSV-2). In cells infected with HSV-1 or HSV-2, viral thymidine kinase phosphorylates penciclovir to a monophosphate form. The monophosphate form of the drug is then converted to penciclovir triphosphate by cellular kinases. The intracellular triphosphate of penciclovir is retained in vitro inside HSV-infected cells for 10-20 hours, compared with 0.7-1 hour for acyclovir. in vitro studies show that penciclovir triphosphate selectively inhibits viral DNA polymerase by competing with deoxyguanosine triphosphate. Inhibition of DNA synthesis of virus-infected cells inhibits viral replication. In cells not infected with HSV, DNA synthesis is unaltered. Resistant mutants of HSV can occur from qualitative changes in viral thymidine kinase or DNA polymerase. The most commonly encountered acyclovir-resistant mutants that are deficient in viral thymidine kinase are also resistant to penciclovir. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3288 KEIO_ID P157; [MS2] KO009149 KEIO_ID P157 Penciclovir (VSA 671) is a potent and selective anti-herpesvirus agent with EC50 values of 0.5, 0.8 μg/ml for HSV-1 (HFEM), HSV-2 (MS), respectively. Penciclovir shows anti-herpesvirus activity with no-toxic. Penciclovir preventes mortality in mouse[1][2].
(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
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.
Neopterin
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
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
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
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
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
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)
2-Amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-3H-purin-6-one
Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
N-(2-(1-Naphthalenyl)ethyl)cyclobutanecarboxamide
3'-AZIDO-2',3'-DIDEOXYURIDINE
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
Ethacridine
D000890 - Anti-Infective Agents C254 - Anti-Infective Agent
Furegrelate
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Nefopam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
6-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidine
nefopam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
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].
2.3-di hydroxypropyl-(2-amino-2-deoxy)-beta-D-glucopyranoside
2-methyl-4-(7(9)9H-purin-6-ylamino)-butane-1,2,3-triol|6-(2,3,4-trihydroxy-3-methylbutylamino)purine
methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate
A benzoate ester that is methyl 4-aminobenzoate substituted by a 2,3-dihydroxy-3-methylbutyl group at position 2. It is isolated from the wood-decayed fungus Xylaria sp.BCC9653 and exhibits potent cytotoxicity against African green monkey kidney fibroblast (Vero) cells.
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].
3-hydroxy-4-(3-hydroxyphenyl)-1H-quinolin-2-one
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide
penciclovir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Penciclovir (VSA 671) is a potent and selective anti-herpesvirus agent with EC50 values of 0.5, 0.8 μg/ml for HSV-1 (HFEM), HSV-2 (MS), respectively. Penciclovir shows anti-herpesvirus activity with no-toxic. Penciclovir preventes mortality in mouse[1][2].
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based: Match]
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based on: CCMSLIB00000848409]
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)
Ketamine metabolite (Cyclohexanone, 2-(2-chlorophenyl)-5-hydroxy-2-(methylamino)-)
Ketamine metabolite (Cyclohexanone, 2-(2-chlorophenyl)-6-hydroxy-2-(methylamino)-)
N-[1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide
2-Methyl-2-propanyl (4-amino-3-nitrophenyl)carbamate
N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
N-(TERT-BUTOXYCARBONYL)PHOSPHORAMIDIC ACID DIETHYL ESTER
N-[1-(3-chloropyridin-2-yl)piperidin-4-yl]acetamide
3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-1-PYRROLIDINECARBOXYLIC ACID1,1-DIMETHYLETHYL ESTER
1-(4-FLUOROBENZOYL)-4-HYDROXY-2-PYRROLIDINECARBOXYLICACID
4H-Pyrano[2,3-b]pyridin-4-one, 2-(4-methoxyphenyl)-
navuridine
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.
Premazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-Propen-1-one,1-(4-aminophenyl)-3-(4-methoxyphenyl)-
2-(5-AMINO-ISOXAZOL-3-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3,3-Dimethyl-3H-spiro[benzo[c]furan-1,4-piperidine] hydrochloride
6-ethoxy-2,2,4-trimethyl-1H-quinoline,hydrochloride
methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate
5-fluoro-2-methoxypyridine-3-boronic acid pinacol ester
N-(3,4-dimethoxyphenyl)-Carbamic acid 1,1-dimethylethyl ester
1H-Spiro[piperidine-4,4-quinazolin]-2(3H)-one hydrochloride ( 1:1)
CYCLOPROPYLMETHYL-PYRIDIN-4-YL-AMINEDIHYDROCHLORIDE
(3-Fluoro-5-(morpholine-4-carbonyl)phenyl)boronic acid
[Carboxymethyl-(2-hydroxy-5-methyl-benzyl)amino]acetic acid
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
5,6-dihydrobenzo[f]isoquinolin-1-yl(trimethyl)silane
(5-([TERT-BUTYL(DIMETHYL)SILYL]OXY)PYRIDIN-3-YL)BORONIC ACID
4,5,7,8-TETRAHYDRO-6H-THIENO[2,3-D]AZEPINE-6-CARBOXYLIC ACID, T-BUTYLESTER
ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
2-(HydroxyMethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
[2-(4-fluoro-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
ST 91
ST91 is a α2-adrenoceptor (α2AR) agonist. ST91 activates both α2AAR and non-α2AAR subtypes to produce spinal antinociception[1][2][3].
6-(4-methylbenzenesulfonyl)-2-oxa-6-azaspiro[3.3]heptane
Piperidine, 4-[[(cyclopropylmethyl)sulfonyl]methyl]-, hydrochloride (1:1)
(S)-4-METHYL-3-(4-TRIFLUOROMETHYLPHENYL)OXAZOLIDIN-2-ONE
6-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-one
Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylacetate
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
ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate
4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
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
2-(acetoxymethyl)4-(3-methoxypropoxy)-3-methylpyridine
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
Choline bitartrate
It is used as a food additive Choline bitartrate is a vitamin-like essential nutrient, can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2]. Choline bitartrate is a precursor for the neurotransmitter acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism[3]. Choline bitartrate is a vitamin-like essential nutrient, can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2]. Choline bitartrate is a precursor for the neurotransmitter acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism[3]. Choline bitartrate is a vitamin-like essential nutrient, can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2]. Choline bitartrate is a precursor for the neurotransmitter acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism[3].
2-(4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL)-6-METHYLPYRIDINE
3-Fluoro-4-(4-Morpholinylcarbonyl)benzeneboronic acid
2-Fluoro-4-(4-Morpholinylcarbonyl)benzeneboronic acid
2-Chloro-3-methylpyridine-4-boronic acid pinacol ester
(R)-1-(TERT-BUTOXYCARBONYL)-2-(PROP-2-YN-1-YL)PYRROLIDINE-2-CARBOXYLIC ACID
Acetic acid,2-thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile
4-FLUORO-1,4-PIPERIDINEDICHARBOXYLIC ACID,1(1,1-DIMETHYLETHYL)ESTER, LITHIUM SALT
[4-[(methylcarbamothioylamino)carbamoyl]phenyl]boronic acid
5-ethyl-5-(4-methyl-1-piperidyl)-1,3-diazinane-2,4,6-trione
1-(4-FLUOROPHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINEHYDROCHLORIDE
2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
(4-Fluoro-3-(morpholine-4-carbonyl)phenyl)boronic acid
(6-[4-(trifluoromethyl)phenyl]pyridin-3-yl)methanol
2-chloro-3-methylpyridine-5-boronic acid pinacol ester
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
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
3-(4-CARBAMOYLMETHOXY-3-METHOXYPHENYL)PROPIONICACID
2-[(1,1-dimethylethoxy)carbonyl]hydrazide, 1-oxide
a,a-Dimethyl-4-(trifluoromethyl)-Benzeneethanamine-hydrochloride
2-Chloro-5-Methylpyridine-3-boronic acid pinacol ester
3(R)-CHLOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
1-Benzooxazol-2-yl-piperidin-4-ylaMine hydrochloride
(2Z)-6-Hydroxy-7-methyl-2-(pyridin-3-ylmethylene)-1-benzofuran-3(2H)-one
3-fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenylboronic acid
(2-fluoro-4-((4-hydroxypiperidin-1-yl)Methyl)phenyl)boronic acid
2-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid
3,3-Dimethyl-3H-spiro[isobenzofuran-1,4-piperidine] hydrochloride
3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
benzyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
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
3-((TERT-BUTOXYCARBONYL)AMINO)-5-HYDROXYBENZOIC ACID
4-(1-ISOPROPYL-1H-PYRROLO[2,3-C]PYRIDIN-3-YL)PYRIMIDIN-2-AMINE
2-TERT-BUTYL 4-METHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
TERT-BUTYL 3-[5-(2-AMINO-ETHYL)-THIOPHEN-3-YL]-ACRYLATE
(3-CHLOROMETHYL-PHENYL)-(4-HYDROXY-PIPERIDIN-1-YL)-METHANONE
acrylic acid, butyl prop-2-enoate, prop-2-enenitrile
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
2-Methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid
D004791 - Enzyme Inhibitors
N-(2,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
2-(4-Methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole
N-(2,3-Dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamide
3-{[(1R)-1-Benzyl-2-sulfanylethyl]amino}-3-oxopropanoic acid
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}pyridin-3-olate
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
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(omega)-phosphonato-L-arginine
Conjugate base of N(omega)-phospho-L-arginine having anionic carboxy and phosphate groups and protonated amino and guanidino nitrogens.
(1S)-1-[(2S)-2-amino-4-methylpentanamido]ethyl(methoxy)phosphinate
4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxyllate
2-Amino-3-[4-(2-hydroxypropanoyloxy)phenyl]propanoic acid
6-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
2-Amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
4-butyl-3-(3-methyl-2-thiophenyl)-1H-1,2,4-triazole-5-thione
N-(2-methyl-5-tetrazolyl)-2-naphthalenecarboxamide
2-fluoro-N-[(2-methyl-3-indolylidene)amino]aniline
1-(3-Methyl-5-nitroimidazol-4-yl)piperidine-4-carboxamide
Silanamine, 1,1,1-trimethyl-N-[3-[(trimethylsilyl)oxy]phenyl]-
3-Cyano-8-hydroxymethyl-4-methoxymethylazulene-1-carboxylic acid lactone
Proguanil
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
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
Cyclohexanone, 2-(2-chlorophenyl)-6-hydroxy-2-(methylamino)-
Omaciclovir
Omaciclovir (H2G) is a potent and selective inhibitor of herpesvirus replication. Omaciclovir is a nucleoside analog with antiviral activity[1].
n-[(1e)-2-(4-methoxyphenyl)ethenyl]benzenecarboximidic acid
(2s)-2-amino-n-[hydroxy(methoxy)phosphoryl]-n,4-dimethylpentanehydrazonic acid
(2r)-2-[(4r)-2-iminoimidazolidin-4-yl]-3-[(2r)-4-methyl-5-oxo-2h-furan-2-yl]propanoic acid
(3z,4s)-4-(1-methylimidazol-4-yl)-3-(phenylmethylidene)-4,5-dihydropyrrol-2-ol
(2r,3s,4r,5r,6r)-5-amino-6-[(2r)-2,3-dihydroxypropoxy]-2-(hydroxymethyl)oxane-3,4-diol
n-[(2s)-1-(acetyloxy)-3-hydroxypropan-2-yl]-2-hydroxybenzenecarboximidic acid
7-hydroxybiopterin
{"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"}
