Exact Mass: 441.1123076
Exact Mass Matches: 441.1123076
Found 203 metabolites which its exact mass value is equals to given mass value 441.1123076,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Folic acid
Folic acid appears as odorless orange-yellow needles or platelets. Darkens and chars from approximately 482 °F. Folic acid is an N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation. It has a role as a human metabolite, a nutrient and a mouse metabolite. It is a member of folic acids and a N-acyl-amino acid. It is functionally related to a pteroic acid. It is a conjugate acid of a folate(2-). Folic acid, also known as folate or Vitamin B9, is a member of the B vitamin family and an essential cofactor for enzymes involved in DNA and RNA synthesis. More specifically, folic acid is required by the body for the synthesis of purines, pyrimidines, and methionine before incorporation into DNA or protein. Folic acid is particularly important during phases of rapid cell division, such as infancy, pregnancy, and erythropoiesis, and plays a protective factor in the development of cancer. As humans are unable to synthesize folic acid endogenously, diet and supplementation is necessary to prevent deficiencies. For example, folic acid is present in green vegetables, beans, avocado, and some fruits. In order to function within the body, folic acid must first be reduced by the enzyme dihydrofolate reductase (DHFR) into the cofactors dihydrofolate (DHF) and tetrahydrofolate (THF). This important pathway, which is required for de novo synthesis of nucleic acids and amino acids, is disrupted by anti-metabolite therapies such as [DB00563] as they function as DHFR inhibitors to prevent DNA synthesis in rapidly dividing cells, and therefore prevent the formation of DHF and THF. When used in high doses such as for cancer therapy, or in low doses such as for Rheumatoid Arthritis or psoriasis, [DB00563] impedes the bodys ability to create folic acid. This results in a deficiency of coenzymes and a resultant buildup of toxic substances that are responsible for numerous adverse side effects. As a result, supplementation with 1-5mg of folic acid is recommended to prevent deficiency and a number of side effects associated with MTX therapy including mouth ulcers and gastrointestinal irritation. [DB00650] (also known as folinic acid) supplementation is typically used for high-dose MTX regimens for the treatment of cancer. Levoleucovorin and leucovorin are analogs of tetrahydrofolate (THF) and are able to bypass DHFR reduction to act as a cellular replacement for the co-factor THF. There are also several antiepileptic drugs (AEDs) that are associated with reduced serum and red blood cell folate, including [DB00564] (CBZ), [DB00252] (PHT), or barbiturates. Folic acid is therefore often provided as supplementation to individuals using these medications, particularly to women of child-bearing age. Inadequate folate levels can result in a number of health concerns including cardiovascular disease, megaloblastic anemias, cognitive deficiencies, and neural tube defects (NTDs). Folic acid is typically supplemented during pregnancy to prevent the development of NTDs and in individuals with alcoholism to prevent the development of neurological disorders, for example. Folic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). CID 6037 is a natural product found in Beta vulgaris, Angelica sinensis, and other organisms with data available. Folic Acid is a collective term for pteroylglutamic acids and their oligoglutamic acid conjugates. As a natural water-soluble substance, folic acid is involved in carbon transfer reactions of amino acid metabolism, in addition to purine and pyrimidine synthesis, and is essential for hematopoiesis and red blood cell production. (NCI05) A member of the vitamin B family that stimulates the hematopoietic system. It is present in the liver and kidney and is found in mushrooms, spinach, yeast, green leaves, and grasses (POACEAE). Folic acid is used in the treat... Folic acid or folate, is a vitamin that belongs to the class of compounds known as pterins. Chemically, folate consists of three distinct chemical moieties linked together. A pterin (2-amino-4-hydroxy-pteridine) linked by a methylene bridge to a p-aminobenzoyl group that in turn is linked through an amide linkage to glutamic acid. It is a member of the vitamin B family and is primarily known as vitamin B9. Folate is required for the body to make DNA and RNA and metabolize amino acids necessary for cell division for the hematopoietic system. As humans cannot make folate, it is required in the diet, making it an essential nutrient (i.e. a vitamin). Folate occurs naturally in many foods including mushrooms, spinach, yeast, green leaves, and grasses (poaceae). Folic acid, being biochemically inactive, is converted to tetrahydrofolic acid and methyltetrahydrofolate by the enzyme known as dihydrofolate reductase. Tetrahydrofolate and methyltetrahydrofolate are transported across cells by receptor-mediated endocytosis where they are needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids and generate formic acid. Folic acid is used in the treatment and prevention of folate deficiencies and megaloblastic anemia. Folic acid is also used as a supplement by women during pregnancy to reduce the risk of neural tube defects (NTDs) in babies. Low levels in early pregnancy are believed to be the cause of more than half of babies born with NTDs (PMID: 28097362). Folic acid is also a microbial metabolite produced by Bifidobacterium and Lactobacillus (PMID: 22254078). An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation. B - Blood and blood forming organs > B03 - Antianemic preparations > B03B - Vitamin b12 and folic acid > B03BB - Folic acid and derivatives COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D006397 - Hematinics D018977 - Micronutrients > D014815 - Vitamins V - Various > V04 - Diagnostic agents Dietary supplement Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Formula(Parent): C19H19N7O6; Bottle Name:Folic acid ,approx; PRIME Parent Name:Folic acid; PRIME in-house No.:V0080; SubCategory_DNP: Pteridines and analogues, Pteridine alkaloids Acquisition and generation of the data is financially supported in part by CREST/JST. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.543 CONFIDENCE standard compound; INTERNAL_ID 134 Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4]. Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4].
Dofetilide
Dofetilide is a class III antiarrhythmic agent that is approved by the Food and Drug Administration (FDA) for the maintenance of sinus rhythm in individuals prone to the formation of atrial fibrillation and flutter, and for the chemical cardioversion to sinus rhythm from atrial fibrillation and flutter. [Wikipedia] C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BD - Antiarrhythmics, class iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Nebivolol HCl
C22H26ClF2NO4 (441.1518330000001)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Nebivolol (R 065824) hydrochloride is an orally active beta receptor blocker and has the high beta(1)-receptor affinity.Nebivolol hydrochloride has direct vasodilator properties and adrenergic blocking characteristics. Nebivolol hydrochloride can be used for the research of kinds of diseases such as hypertension, coronary artery disease, congestive heart failure and ischemic heart disease[1][2].
Prostaphlin
C19H20N3NaO6S (441.0970460000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
troglitazone
C24H27NO5S (441.1609852000001)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5234; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5241; ORIGINAL_PRECURSOR_SCAN_NO 5238 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5206; ORIGINAL_PRECURSOR_SCAN_NO 5205 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5244; ORIGINAL_PRECURSOR_SCAN_NO 5241 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5240; ORIGINAL_PRECURSOR_SCAN_NO 5238 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5233; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9800; ORIGINAL_PRECURSOR_SCAN_NO 9795 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9806; ORIGINAL_PRECURSOR_SCAN_NO 9803 Troglitazone is an orally active PPARγ agonist, with EC50s of 550 nM and 780 nM for human and murine?PPARγ receptor, respectively. Troglitazone has anticancer activity, prevents and inhibits the development of type 2 diabetes.
Temelastine
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Temelastine is a second-generation H1-antihistamine.
3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Folcidin
troglitazone
C24H27NO5S (441.1609852000001)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents Troglitazone is an orally active PPARγ agonist, with EC50s of 550 nM and 780 nM for human and murine?PPARγ receptor, respectively. Troglitazone has anticancer activity, prevents and inhibits the development of type 2 diabetes.
4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
C24H27NO5S (441.1609852000001)
7,8-dihydrofolate
7,8-dihydrofolate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 7,8-dihydrofolate can be found in a number of food items such as pineapple, common verbena, pear, and citrus, which makes 7,8-dihydrofolate a potential biomarker for the consumption of these food products.
Alpelisib
C19H22F3N5O2S (441.14462280000004)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Aristolactam IIIa N-beta-glucoside
C22H19NO9 (441.10597640000003)
Aristolactam Ia N-beta-glucoside
C22H19NO9 (441.10597640000003)
10-(beta-D-glucopyranosyloxy)-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one|aristololactam IIIa 6-(beta-D-glucopyranoside)|manshurienine A
C22H19NO9 (441.10597640000003)
4,5-dihydro-1,4-di(1H-indol-3-yl)furo[3,2:3,4]cyclopent[1,2-b]indol-2-(3alphaH)-one|malasseziacitrin
O1-(6-sulfanilylamino-[3]pyridyl)-beta-D-glucopyranuronic acid|O1-(6-Sulfanilylamino-[3]pyridyl)-beta-D-glucopyranuronsaeure
O-(2-acetamido-2-deoxy-beta-D-galactosyl)-(1->5)-3-deoxy-D-manno-octulosonic acid
9-chloro-10b,11-dihydroxy-7,8-dimethoxy-2-methyl-3-methylene-11a-methylsulfanyl-2,3,6,10b,11,11a-hexahydro-5aH-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4-dione|Sporidesmin F
C18H20ClN3O6S (441.0761290000001)
8-(beta-D-glucopyranosyloxy)-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one|aristolactam Ia 8-beta-D-glucoside|aristololactam Ia 8-(beta-D-glucopyranoside)|manshurienine B
C22H19NO9 (441.10597640000003)
Dofetilide
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BD - Antiarrhythmics, class iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Folic acid
CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2727; ORIGINAL_PRECURSOR_SCAN_NO 2725 B - Blood and blood forming organs > B03 - Antianemic preparations > B03B - Vitamin b12 and folic acid > B03BB - Folic acid and derivatives COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D006397 - Hematinics D018977 - Micronutrients > D014815 - Vitamins V - Various > V04 - Diagnostic agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2742; ORIGINAL_PRECURSOR_SCAN_NO 2740 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2705; ORIGINAL_PRECURSOR_SCAN_NO 2702 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2726; ORIGINAL_PRECURSOR_SCAN_NO 2724 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2724; ORIGINAL_PRECURSOR_SCAN_NO 2722 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2722; ORIGINAL_PRECURSOR_SCAN_NO 2720 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5826; ORIGINAL_PRECURSOR_SCAN_NO 5821 CONFIDENCE standard compound; INTERNAL_ID 452; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5819; ORIGINAL_PRECURSOR_SCAN_NO 5814 Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4]. Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4].
Folate
Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4]. Folic acid (Vitamin B9) is a orally active essential nutrient from the B complex group of vitamins. Folic acid shows antidepressant-like effect. Folic acid sodium reduces the risk of neonatal neural tube defects. Folic acid can be used to the research of megaloblastic and macrocytic anemias due to folic deficiency[1][2][3][4].
Cys Cys Cys Asn
C13H23N5O6S3 (441.08104180000004)
Cys Cys Asn Cys
C13H23N5O6S3 (441.08104180000004)
Cys Asn Cys Cys
C13H23N5O6S3 (441.08104180000004)
Asp Gly His Asn
Asp Gly Asn His
Asp His Gly Asn
Asp His Asn Gly
Asp Asn Gly His
Asp Asn His Gly
Gly Asp His Asn
Gly Asp Asn His
Gly His Asp Asn
Gly His Asn Asp
Gly Asn Asp His
Gly Asn His Asp
His Asp Gly Asn
His Asp Asn Gly
His Gly Asp Asn
His Gly Asn Asp
His Asn Asp Gly
His Asn Gly Asp
Asn Cys Cys Cys
C13H23N5O6S3 (441.08104180000004)
Asn Asp Gly His
Asn Asp His Gly
Asn Gly Asp His
Asn Gly His Asp
Asn His Asp Gly
Asn His Gly Asp
GW 848687X
C24H18ClF2NO3 (441.0943212000001)
Trp-Asp-OH
C21H19N3O8 (441.11720940000004)
(r)-n,n-dimethyl-1-[(s)-2-(diphenylphosphino)ferrocenyl]ethylamine
C26H28FeNP (441.13086480000004)
R547
C18H21F2N5O4S (441.12822500000004)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
7-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-2-OXO-2H-CHROMEN-4-YL]-ACETIC ACID
C26H19NO6 (441.12123140000006)
Nebivolol hydrochloride
C22H26ClF2NO4 (441.1518330000001)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Nebivolol (R 065824) hydrochloride is an orally active beta receptor blocker and has the high beta(1)-receptor affinity.Nebivolol hydrochloride has direct vasodilator properties and adrenergic blocking characteristics. Nebivolol hydrochloride can be used for the research of kinds of diseases such as hypertension, coronary artery disease, congestive heart failure and ischemic heart disease[1][2].
Dolutegravir Sodium
D004791 - Enzyme Inhibitors > D019429 - Integrase Inhibitors > D019428 - HIV Integrase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
13,6-(EPITHIOIMINO)PENTACENE-16-CARBOXYLIC ACID, 6,13-DIHYDRO-, TERT BUTYL ESTER, 15-OXIDE
C27H23NO3S (441.1398568000001)
4-(3-(3-nitrophenylcarbamoyl) phenylsulfonamido) benzoic acid
C20H15N3O7S (441.06306800000004)
9H-Fluorene-4-methanol,2,7-dichloro-a-[(dibutylamino)methyl]-,hydrochloride (1:1)
fmoc-l-3,4,5-trifluorophenylalanine
C24H18F3NO4 (441.11878640000003)
(4-(N,N-Bis(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid
fmoc-d-3,4,5-trifluorophenylalanine
C24H18F3NO4 (441.11878640000003)
(R)-3-(4-ACETAMIDOPHENOXY)-2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE
[7-(6-nitrooxyhexoxy)-4-oxo-2-phenylchromen-5-yl] acetate
3-Phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
C24H27NO5S (441.1609852000001)
L-778123 (hydrochloride)
C471 - Enzyme Inhibitor > C2020 - Farnesyl Transferase Inhibitor
(-)-(R)-N,N-DIMETHYL-1-[(R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE
C26H28FeNP (441.13086480000004)
midazolam maleate
C22H17ClFN3O4 (441.08915640000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(S)-N,N-DIMETHYL-1-[(R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE
C26H28FeNP (441.13086480000004)
Danirixin
C19H21ClFN3O4S (441.0925268000001)
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist
(5r)-5-(4-{[(2r)-6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydro-2h-Chromen-2-Yl]methoxy}benzyl)-1,3-Thiazolidine-2,4-Dione
C24H27NO5S (441.1609852000001)
Cephaloglycin dihydrate
C18H23N3O8S (441.12057980000003)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Crisnatol mesylate
C24H27NO5S (441.1609852000001)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Pirenzepine hydrochloride monohydrate
C19H25Cl2N5O3 (441.1334360000001)
S-Mandelylglutathione
C18H23N3O8S (441.12057980000003)
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide
C21H19N3O4S2 (441.08169340000006)
ML355 is a potent and selective inhibitor of 12-Lipoxygenase (12-LOX) with an IC50 of 0.34 μM, shows excellent selectivity over related lipoxygenases and cyclooxygenases, and possesses favorable ADME properties.
Rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate
C21H22F3NO6 (441.13991480000004)
A natural product found in Gnetum montanum.
3-[[[3-[(3-Nitrophenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid
C20H15N3O7S (441.06306800000004)
N-(1,1-dioxo-3-thiolanyl)-N-[(4-ethoxyphenyl)methyl]-2-oxo-1-benzopyran-3-carboxamide
C23H23NO6S (441.12460180000005)
5-[3-(2-Chloro-6-methoxy-3-quinolinyl)-5-(2-furanyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
C22H20ClN3O5 (441.1091420000001)
Allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin
C24H28BrNO2 (441.13032880000003)
5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
C22H20ClN3O3S (441.09138400000006)
(2E,3S)-3-Hydroxy-5-[(4-hydroxypiperidin-1-YL)sulfonyl]-3-methyl-1,3-dihydro-2,3-biindol-2(1H)-one
C22H23N3O5S (441.13583480000005)
Alpelisib
C19H22F3N5O2S (441.14462280000004)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Temelastine
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
2-[3-Hydroxy-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,3-benzoxazole-4-carboxylic acid
4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
C24H27NO5S (441.1609852000001)
2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
Cortisol 21-sulfate(1-)
Conjugate base of cortisol 21-sulfate arising from deprotonation of the sulfate OH; major species at pH 7.3.
N,N-diallyl-4-{[(cinnamoylamino)carbothioyl]amino}benzenesulfonamide
2-[2,5-Dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
C22H23N3O5S (441.13583480000005)
1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester
C21H23N5O4S (441.14706780000006)
Methyl 2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]acetate
C21H19N3O4S2 (441.08169340000006)
3-[5-[(Z)-(5-imino-7-oxo-3-phenyl-6-thiazolo[3,2-a]pyrimidinylidene)methyl]-2-furanyl]benzoic acid
C24H15N3O4S (441.07832300000007)
N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-isoindolylidene]-2-thiophenecarboxamide
C24H19N5O2S (441.12593940000005)
2-[[[4-(4-Methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-1,3,4-oxadiazole
C24H19N5O2S (441.12593940000005)
N-ethyl-3-[4-morpholinyl(oxo)methyl]-4-oxo-N-phenyl-1H-quinoline-6-sulfonamide
C22H23N3O5S (441.13583480000005)
3-nitro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide
C21H23N5O4S (441.14706780000006)
2-[3-[3-(2-Hydroxyethyl)-2-phenylimino-4-thiazolyl]phenyl]isoindole-1,3-dione
C25H19N3O3S (441.11470640000005)
1,3-Diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester
C25H19N3O5 (441.13246440000006)
4-Oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester
C21H19N3O6S (441.0994514000001)
2-[4-(2-chlorobenzyl)piperazin-1-yl]-N-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
C22H24ClN5O3 (441.15675840000006)
3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-6-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-one
C22H23N3O5S (441.13583480000005)
1-[(4-chlorophenyl)methyl]-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2H-pyrrol-3-ol
C22H20ClN3O3S (441.09138400000006)
(E)-2-(1H-benzimidazol-2-yl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
C23H24ClN3O4 (441.14552540000005)
methyl 2-[(1R,3R,4aR,9aS)-6-(1,3-benzodioxole-5-carbonylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
methyl 2-[(1S,3R,4aR,9aS)-6-(1,3-benzodioxole-5-carbonylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
2-Amino-5-[[1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
C18H23N3O8S (441.12057980000003)
2-[(1S,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2,9-Diamino-5,7-bis(trimethylsilyl)benzo[a]pyrimido[2,1,6-cd]pyrrolizine-3,4,8-tricarbonitrile
An organic heterotetracyclic compound consisting of a benzo[a]pyrimido[2,1,6-cd]pyrrolizine ring system having amino substituents at the 2- and 9-positions, trimethylsilyl substituents at the 5- and 7-positions and cyano substituents at the 3-, 4- and 8-postions.
dihydrofolate(2-)
Dianion of dihydrofolic acid arising from deprotonation of both carboxylic acid functions.
2-{[(1s)-1-methyl-5,8,12-trioxo-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2,4(9),6,10,13(20),15-hexaen-7-yl]amino}ethanesulfonic acid
C22H19NO7S (441.0882184000001)
(6s)-3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione
C27H23NO5 (441.15761480000003)
(1s,10s,15s,26s,29r)-10-methyl-27-oxa-8,11,13,16,24-pentaazaoctacyclo[13.12.1.1¹,⁸.0²,⁷.0¹³,²⁶.0¹⁶,²⁵.0¹⁸,²³.0¹¹,²⁹]nonacosa-2,4,6,18,20,22,24-heptaene-9,14,17-trione
C24H19N5O4 (441.14369740000006)
3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione
C27H23NO5 (441.15761480000003)
(10r,11r)-10,14-bis(1h-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.0²,⁷.0¹¹,¹⁵]pentadeca-1(9),2,4,6,14-pentaen-13-one
14-hydroxy-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
C22H19NO9 (441.10597640000003)
(1's,12'r,14'r,27's)-12',26'-dihydroxy-2',5',15',23',25'-pentaazaspiro[cyclopropane-1,3'-heptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosan]-6',8',10',17',19',21',23',25'-octaene-4',16'-dione
C24H19N5O4 (441.14369740000006)
(4r,5r,6r,7r)-5-{[(2s,3r,4r,5r,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,7,8-tetrahydroxy-2-oxooctanoic acid
14-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
C22H19NO9 (441.10597640000003)
3,4-methylenedioxy-10-hydroxy aristololactam-n-beta-d-glucoside
C22H19NO9 (441.10597640000003)
{"Ingredient_id": "HBIN007494","Ingredient_name": "3,4-methylenedioxy-10-hydroxy aristololactam-n-beta-d-glucoside","Alias": "3,4-methylenedioxy-10-hydroxyaristololactam-n-\u03b2-d-glucoside","Ingredient_formula": "C22H19NO9","Ingredient_Smile": "C1OC2=C(O1)C3=C4C=C(C=CC4=CC5=C3C(=C2)C(=O)N5C6C(C(C(C(O6)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31607;14363","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(15r,16s,17r,18r,20s)-2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione
12',26'-dihydroxy-2',5',15',23',25'-pentaazaspiro[cyclopropane-1,3'-heptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosan]-6',8',10',17',19',21',23',25'-octaene-4',16'-dione
C24H19N5O4 (441.14369740000006)
2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione
15,16,17-trihydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),3,5,8,11-pentaene-2,10,13-trione
n-[2,6-dihydroxy-3-(sulfanylcarbonyl)phenyl]-3-[(1s,5s,6r,8s)-5-methyl-9-methylidene-4-oxotricyclo[6.2.2.0¹,⁶]dodec-2-en-5-yl]propanimidic acid
C24H27NO5S (441.1609852000001)
10,14-bis(1h-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.0²,⁷.0¹¹,¹⁵]pentadeca-1(9),2,4,6,14-pentaen-13-one
(2s,3r,4s,5s,6r)-2-({9-hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,9,11,13(18),14,16-octaen-14-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
C22H19NO9 (441.10597640000003)
(15s,16r,17s,18r,20r)-2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione
16-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
C22H19NO9 (441.10597640000003)
16''-hydroxy-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[13]oxa-[2,10,17]triazatetracyclo[10.3.2.0²,¹¹.0⁴,⁹]heptadecane]-4'',6'',8'',10'',16''-pentaene-3',3''-dione
C24H19N5O4 (441.14369740000006)
10-methyl-27-oxa-8,11,13,16,24-pentaazaoctacyclo[13.12.1.1¹,⁸.0²,⁷.0¹³,²⁶.0¹⁶,²⁵.0¹⁸,²³.0¹¹,²⁹]nonacosa-2,4,6,18,20,22,24-heptaene-9,14,17-trione
C24H19N5O4 (441.14369740000006)
16-hydroxy-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
C22H19NO9 (441.10597640000003)
[6-(2,4-dihydroxy-6-methylbenzoyloxy)-4-hydroxy-5-(3-methylbut-2-en-1-yl)-1-oxo-3h-isoindol-2-yl]acetic acid
(15s,16r,17s,18r,20r)-13,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),3(11),4(9),5,7,12-hexaene-2,10-dione
2-{[(1s)-1-methyl-5,8,12-trioxo-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2,4(9),6,10,13(20),15-hexaen-6-yl]amino}ethanesulfonic acid
C22H19NO7S (441.0882184000001)
(1''s,9's,9'ar,12''s)-16''-hydroxy-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[13]oxa-[2,10,17]triazatetracyclo[10.3.2.0²,¹¹.0⁴,⁹]heptadecane]-4'',6'',8'',10'',16''-pentaene-3',3''-dione
C24H19N5O4 (441.14369740000006)
(6r)-3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione
C27H23NO5 (441.15761480000003)