Exact Mass: 309.0902
Exact Mass Matches: 309.0902
Found 500 metabolites which its exact mass value is equals to given mass value 309.0902,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N-acetylneuraminate
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A018; [MS2] KO008824 KEIO_ID A018 N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
9-O-Acetylneuraminic acid
The acetate ester of the primary hydroxy group of neuraminic acid.
N-Glycolyl-Muramic Acid
N-Acetylneuraminic acid
N-Acetylneuraminic acid (NeuAc) (CAS: 131-48-6), also known as sialic acid, is an acetyl derivative of the amino sugar neuraminic acid. It occurs in many glycoproteins, glycolipids, and polysaccharides in both mammals and bacteria. The most abundant sialic acid, NeuAc, is synthesized in vivo from N-acetylated D-mannosamine (ManNAc) or D-glucosamine (GlcNAc). NeuAc and its activated form, CMP-NeuAc, are biosynthesized in five consecutive reactions that form the intermediates UDP-N-acetylglucosamine (UDP-GlcNAc), N-acetylmannosamine (ManNAc), ManNAc 6-phosphate, NeuAc 9-phosphate, and CMP-NeuAc. CMP-NeuAc is transported into the Golgi apparatus and, with the aid of specific sialyltransferases, added onto nonreducing positions on oligosaccharide chains of glycoproteins and glycolipids. NeuAc is widely distributed throughout human tissues and found in several fluids, including serum, cerebrospinal fluid, saliva, urine, amniotic fluid, and breast milk. It is found in high levels in the brain, adrenal glands, and the heart. Serum and urine levels of the free acid are elevated in individuals suffering from renal failure. Serum and saliva Neu5Ac levels are also elevated in alcoholics. A genetic disorder known as Salla disease or infantile NeuAc storage disease is also characterized by high serum and urine levels of this compound. The negative charge is responsible for the slippery feel of saliva and mucins coating the bodys organs. This particular sialic acid is known to act as a "decoy"" for invading pathogens. Along with involvement in preventing infections (mucus associated with mucous membranes — mouth, nose, GI, respiratory tract), Neu5Ac acts as a receptor for influenza viruses, allowing attachment to mucous cells via hemagglutinin (an early step in acquiring influenzavirus infection). NeuAc is also becoming known as an agent necessary for mediating ganglioside distribution and structures in the brain. Sialic acid (SA) is an N-acetylated derivative of neuraminic acid that is an abundant terminal monosaccharide of glycoconjugates. Normal human serum SA is largely bound to glycoproteins or glycolipids (total sialic acid (TSA): 1.5-2.5 mmol/L), with small amounts of free SA (1-3 umol/L). Negatively charged SA units stabilize glycoprotein conformation in cell surface receptors to increase cell rigidity. This enables signal recognition and adhesion to ligands, antibodies, enzymes, and microbes. SA residues are antigenic determinant residues in carbohydrate chains of glycolipids and glycoproteins, chemical messengers in tissue and body fluids, and may regulate glomeruli basement membrane permeability. Sialic acids are structurally unique nine-carbon keto sugars occupying the interface between the host and commensal or pathogenic microorganisms. An important function of host sialic acid is to regulate innate immunity. Sialic acid is the moiety most actively recycled for metabolic purposes in the salvage pathways in glycosphingolipid metabolism. Sialic acid is indispensable for the neuritogenic activities of ganglioside constituents which are unique in that a sialic acid directly binds to the glucose of the cerebroside, they are mutually connected in tandem, and some are located in the internal parts of the sugar chain. Sialylation (sialic acid linked to galactose, N-acetylgalactosamine, or another sialic acid) represents one of the most frequently occurring terminations of the oligosaccharide chains of glycoproteins and glycolipids. The biosynthesis of the various linkages is mediated by the different members of the sialyltransferase family (PMID: 11425186, 11287396, 12770781, 16624269, 12510390, 15007099). N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
N-Acetyl-a-neuraminic acid
N-Acetyl-alpha-neuraminate is a sialic acid. Sialic acids are an important family of related 9-carbon sugars acids, present on the surface of many different cells and functioning in a wide range of different biological processes. They mediate a variety of cell-cell and cell-molecule interactions in eukaryotes and can be utilized by pathogens to evade the host immune response. N-acetylneuraminic acid is the most common sialic acid, and the predominant form present in humans. It can be found as a terminal sugar on a wide range of surface glycoconjugates. A number of bacteria that can colonize humans (such as E. coli) make use of N-acetylneuraminic acid as a nutrient source. N-Acetyl-a-neuraminic acid is a derivatized monosaccharide. Neuraminic acid derivatives are found widely distributed in animal tissues and in bacteria. The N- or O-substituted derivatives of neuraminic acid are collectively known as sialic acids, the predominant one being N-acetylneuraminic acid. [HMDB] N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
Glymidine
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BC - Sulfonamides (heterocyclic) C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
Ketotifen
Ketotifen is only found in individuals that have used or taken this drug. It is a cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis. [PubChem]Ketotifen is a relatively selective, non-competitive histamine antagonist (H1-receptor) and mast cell stabilizer. Ketotifen inhibits the release of mediators from mast cells involved in hypersensitivity reactions. Decreased chemotaxis and activation of eosinophils have also been demonstrated. Ketotifen also inhibits cAMP phosphodiesterase. Properties of ketotifen which may contribute to its antiallergic activity and its ability to affect the underlying pathology of asthma include inhibition of the development of airway hyper-reactivity associated with activation of platelets by PAF (Platelet Activating Factor), inhibition of PAF-induced accumulation of eosinophils and platelets in the airways, suppression of the priming of eosinophils by human recombinant cytokines and antagonism of bronchoconstriction due to leukotrienes. Ketotifen inhibits of the release of allergic mediators such as histamine, leukotrienes C4 and D4(SRS-A) and PAF. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Fluoxetine
Fluoxetine hydrochloride is the first agent of the class of antidepressants known as selective serotonin-reuptake inhibitors (SSRIs). Despite distinct structural differences between compounds in this class, SSRIs possess similar pharmacological activity. As with other antidepressant agents, several weeks of therapy may be required before a clinical effect is seen. SSRIs are potent inhibitors of neuronal serotonin reuptake. They have little to no effect on norepinephrine or dopamine reuptake and do not antagonize α- or β-adrenergic, dopamine D2 or histamine H1 receptors. During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Chronic use leads to desensitization of somatodendritic 5-HT1A and terminal autoreceptors. The overall clinical effect of increased mood and decreased anxiety is thought to be due to adaptive changes in neuronal function that lead to enhanced serotonergic neurotransmission. Side effects include dry mouth, nausea, dizziness, drowsiness, sexual dysfunction, and headache. Side effects generally occur within the first two weeks of therapy and are usually less severe and frequent than those observed with tricyclic antidepressants. Fluoxetine may be used to treat major depressive disorder (MDD), moderate to severe bulimia nervosa, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder (PMDD), panic disorder with or without agoraphobia, and, in combination with olanzapine, for treatment-resistant or bipolar I depression. Fluoxetine is the most anorexic and stimulating SSRI. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Indoxyl glucuronide
Indoxyl glucuronide is a natural human metabolite of indoxyl generated in the liver by UDP-glucuronyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs, and other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Indoxyl glucuronide has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Inodxyl glucuronide is a natural human metabolite of Inodxyl generated in the liver by UDP glucuonyltransferase.
Cryptodorine
Alkaloid from the leaves of Laurus nobilis (bay laurel). Cryptodorine is found in tea, sweet bay, and herbs and spices. Cryptodorine is found in herbs and spices. Cryptodorine is an alkaloid from the leaves of Laurus nobilis (bay laurel).
Piperolactam C
Piperolactam C is found in herbs and spices. Piperolactam C is an alkaloid from the whole plants of Piper longum (long pepper),. Alkaloid from the whole plants of Piper longum (long pepper),. Piperolactam C is found in herbs and spices.
N-Feruloylaspartic acid
N-Feruloylaspartic acid is found in root vegetables. N-Feruloylaspartic acid is a constituent of beet (Beta vulgaris). Constituent of beet (Beta vulgaris). N-Feruloylaspartic acid is found in root vegetables.
Glutaminyltyrosine
Glutaminyltyrosine is a dipeptide composed of glutamine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tyrosyl-Glutamine
Tyrosyl-Glutamine is a dipeptide composed of tyrosine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Glycodiazine
Glycodiazine is used with diet to lower blood glucose by increasing the secretion of insulin from pancreas and increasing the sensitivity of peripheral tissues to insulin. The mechanism of action of glycodiazine in lowering blood glucose appears to be dependent on stimulating the release of insulin from functioning pancreatic beta cells, and increasing sensitivity of peripheral tissues to insulin. Glycodiazine likely binds to ATP-sensitive potassium channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Membrane depolarization stimulates calcium ion influx through voltage-sensitive calcium channels. This increase in intracellular calcium ion concentration induces the secretion of insulin. It is used for the concomitant use with insulin for the treatment of noninsulin-dependent (type 2) diabetes mellitus. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BC - Sulfonamides (heterocyclic) C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
Tyrosyl-Gamma-glutamate
Tyrosyl-Gamma-glutamate is a dipeptide composed of tyrosine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxylumiracoxib
Hydroxylumiracoxib is a metabolite of lumiracoxib. Lumiracoxib is a COX-2 selective inhibitor non-steroidal anti-inflammatory drug, manufactured by Novartis and still sold in few countries, including Mexico, Ecuador and the Dominican Republic, under the trade name Prexige (sometimes misquoted as Prestige by the media). Lumiracoxib has several distinctive features. (Wikipedia)
Sapanisertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase. Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase.
3h-Sialic acid
N-[5-(4,5-Dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
Glucose aspartate
N(4)-Acetylsulfisoxazole
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
9-O-Acetylneuraminic acid
Pyridone 6
vibunazole
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
(-)-Stephanine; (R)-(-)-Stephanine; 8-Methoxy-1,2-(methylenedioxy)-6abeta-aporphine; Stephanin; l-Stephanine
N-Acetylneuraminic acid
An N-acylneuraminic acid where the N-acyl group is specified as acetyl. N-Acetylneuraminic acid with alpha configuration at the anomeric centre. N-Acetylneuraminic acid with beta configuration at the anomeric centre. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; SQVRNKJHWKZAKO-PFQGKNLYSA-N_STSL_0228_N-Acetylneuraminic acid_2000fmol_190114_S2_LC02MS02_081; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
methyl 1-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
4-[oxo(2-oxolanyl)methyl]-N-thiophen-2-yl-1-piperazinecarboxamide
4-(5-Cyano-1H-1,2,3-triazol-4-yl)phenyl 3,5-dimethylisoxazole-4-carboxylate
N-({[1-Methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}oxy)benzenecarboximidamide
Zacopride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
(-)-N-[3,4-Dihydroxy-(E)-cinnamoyl]-L-glutamic acid
15,16-methanediyldioxy-3beta-methoxy-(6xi)-erythrina-1,6,10-trien-8-one|Crystamidin|crystamidine
1-(alpha-Hydroxy-4-methoxybenzyl)-6,7-methylenedioxyisoquinioline|1-(Hydroxy-p-methoxybenzyl)-6,7-methylenedioxyisoquinoline
Oriciacridone C
An alkaloid of the class of acridone derivatives that is 1,11-dihydrofuro[2,3-c]acridin-6(2H)-one substituted by hydroxy groups at positions 5 and 10 and a prop-1-en-2-yl group at position 2. Isolated from Oriciopsis glaberrima, it exhibits radical scavenging and alpha-glucosidase inhibitory activity.
2-Hydroxy-1-methoxy-4-oxo-4,5-dihydrodibenzo[cd,f]indole-3-carboxylic acid
2-(3,4-Dimethoxy-phenaethyl)-chinolin-4-ol|2-(3,4-dimethoxy-phenethyl)-quinolin-4-ol
3-<(5-isobutyl-1,2,4-trithiolane-3-yl)methyl>indole
1,2-methylenedioxy-N-methoxy-5-oxoaporphine|artamonteirine
8-(4-O-methyl-alpha-ribopyranosyloxy)-3,4-dihydroquinolin-2(1H)-one
2,11-dimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-1-ol|dehydroisothebaine
1-benzo[1,3]dioxol-5-ylmethyl-7-methoxy-isoquinolin-6-ol
2-(7-Methoxy-1,3-benzodioxol-5-yl)-1-methylquinolin-4(1H)-one
10-methylamino-4-hydroxy-2,3-dimethoxyphenanthrene-1-carboxylic acid lactam|piperolactam E
1,2-Dihydro-1-(4-methoxybenzoyl)-6,7-methylendioxyisoquinoline|1,2-Dihydro-1-(p-methoxybenzoyl)-6,7-methylenedioxyisoquinoline
2-hydroxy-6-methoxy-1-(3-methyl-but-2-enyl)-carbazole-3-carbaldehyde|6-Methoxyheptaphylline
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline
1-(3-Hydroxy-4-methoxybenzyl)-6,7-methylenedioxyisoquinoline
2-Benzo[1,3]dioxol-5-yl-6-methoxy-1-methyl-1H-chinolin-4-on|2-benzo[1,3]dioxol-5-yl-6-methoxy-1-methyl-1H-quinolin-4-one
2-((R)-2-((S)-2-Amino-3-(4-hydroxyphenyl)Propanamido)Propanamido)acetic acid
(E)-1-(L-cysteinylglycin-S-yl)-N-hydroxy-omega-(methylsulfanyl)butan-1-imine
fluoxetine
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 8321 CONFIDENCE standard compound; EAWAG_UCHEM_ID 334 CONFIDENCE standard compound; INTERNAL_ID 1509
N-Acetylneuraminate
N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
2-[(3,6-dihydroxy-5-methoxy-7-methyl-4-oxochromen-2-yl)amino]propanoic acid
FLU_310.1415_14.5
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 700
ketotifen
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Fluoxetina
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tyr-GLN
A dipeptide formed from L-tyrosine and L-glutamine residues.
Cryptodorine
piperolactam C
ethyl 3-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate
1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-((METHYLSULFONYL)OXY)PYRROLIDINE-2-CARBOXYLIC ACID
1-ACETYL-4-[3,5-BIS(METHOXYCARBONYL)PHENYL]-SEMICARBAZIDE
7-CHLORO-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
Morpholine,4-(1-methylethyl)-2-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
7-BENZYL-2-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4-OL
2-acetamido-4,6-o-benzylidene-2-deoxy-d-glucopyranose
N-BOC-BELTA-ALANINE-BELTA-4-FLUOROPHENYL-N-CARBOXYANHYDRIDE
2-[4-[5-chloro-3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanol
3-(3-bromopyridin-2-yl)-3,9-diazaspiro[5.5]undecane
9-(3,4-dichlorophenyl)-3-methyl-3-azaspiro[5.5]undec-9-ene
(5-benzyloxy-1H-indol-3-yl)oxoacetic acid methyl ester
4-(2,4-DIMETHOXYBENZYLIDENE)-5-OXO-2-PHENYLOXAZOLINE
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethylaniline sodium salt
4-(2,4-difluorophenoxy)-n-hydroxy-3-nitrobenzenecarboximidamide
(4-((2-(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)PHENYL)BORONIC ACID
4-chloro-N-[1-(N-hydroxycarbamimidoyl)cycloheptyl]benzamide
17-isocyanato-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
Ethyl (S)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate
3-(Boc-amino)-6,6-dichlorobicyclo[3.1.0]hexane-3-carboxylic Acid
Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-diethyl ester
ETHYL 2-(2-CHLOROETHYLIDENE)-1-HYDRAZINECARBOXYLATE
2-AMINO-4-(3,4-DIFLUOROPHENYL)-5H-INDENO[1,2-D]PYRIMIDIN-5-ONE
2-(3,4,5-Trimethoxyphenyl)ethanamine sulfate (1:1)
Sangivamycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents Sangivamycin (NSC 65346), a nucleoside analog, is a potent inhibitor of protein kinase C (PKC) with an Ki of 10 μM. Sangivamycin has potent antiproliferative activity against a variety of human cancers[1][2]. Sangivamycin (NSC 65346), a nucleoside analog, is a potent inhibitor of protein kinase C (PKC) with an Ki of 10 μM. Sangivamycin has potent antiproliferative activity against a variety of human cancers[1][2].
4-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
3-(3H-imidazol-4-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
sulfaguanole
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Acetic acid, [4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]-, ethyl ester
Sulfisoxazole Acetyl
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
TRANS-1-(METHYLSULFONYL)SPIRO[CYCLOHEXANE-1,3-INDOLINE]-4-CARBOXYLIC ACID
2-[[2-(4-methoxyphenyl)chromen-4-ylidene]amino]acetic acid
1H-Benzimidazole,5-[5-[(3-pyridinylmethyl)thio]-1,3,4-oxadiazol-2-yl]-(9CI)
2,3-Dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylic acid methyl ester
2-[4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYL]PIPERAZINO]ETHAN-1-OL
1H-Benzimidazole,5-[5-[(4-pyridinylmethyl)thio]-1,3,4-oxadiazol-2-yl]-(9CI)
ethyl (E)-3-(2-chloro-6-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
(Z)-1-phenyl-2-(bromomethyl)-N,N-diethylcyclopropanecarboxamide
3-[methyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic acid ethyl ester
N-(1-PHENYL-4,5-DIHYDRO-1 H-PYRAZOL-3-YL)-PHTHALAMIC ACID
tert-Butyl [1-(2,5-difluorophenyl)-1-oxo-4-pentyn-2-yl]carbamate
4-[[(4-CHLORO-2,5-DIMETHYLPHENYL)SULFONYL]METHYL]ANILINE
3,5-dip-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
4-HYDROXY-1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE
2-(4-Hydroxy-3-methoxy-phenyl)-quinoline-4-carboxylic acid methyl ester
4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylic acid methyl ester
(3E)-2,3-Dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylic acid methyl ester
{[4-(2-Azido-3-methyl-5-oxotetrahydro-2-furanyl)phenyl]hydrazono}malononitrile
methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate
BOC-3-AMINO-3-(BENZO[D][1,3]DIOXOL-5-YL)PROPANOICACID
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-5-UREIDOPENTANOIC ACID
1,2-Dithiolane-3-pentanamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]
4-(6-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
(3-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)boronic acid
5-(5-Methoxy-2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)pyrazin-2-amine
(R)-beta-[[(tert-Butoxy)carbonyl]amino]-1,3-benzodioxole-5-propanoic acid
ethyl 6-(difluoromethoxy)-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylate
(2,3,4,5,6-pentafluorophenyl) 1-methylpiperidine-3-carboxylate
3-(5-bromopyridin-2-yl)-3,9-diazaspiro[5.5]undecane
Irosustat
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
1,4-Dihydroxy-3-methyl-2-naphthyl 4-aminobenzoate
D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine
4-Benzyl-1-{thieno[2,3-d]pyrimidin-4-yl}piperidine
4-chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-3-pyrazolecarboxamide
N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide
2-Chloro-1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
7-Chloro-4-[4-(2-chloroethyl)-1-piperazinyl]quinoline
6-(2-Furanyl)-3-(2-pyridinylmethylthio)-[1,2,4]triazolo[4,3-b]pyridazine
1-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-ethylthiourea
2-[[(1-Phenyl-5-tetrazolyl)thio]methyl]imidazo[1,2-a]pyrimidine
4-Hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid anion
Sapanisertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase. Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase.
19-Methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,11,15,17-hexaen-14-one
Domoate
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents
(2R)-2-amino-3-(1H-indol-3-ylmethylcarbamothioylsulfanyl)propanoic acid
7-(3-Amino-5-hydroxyphenyl)-7-hydroxy-2,6-dimethyl-3,5-dioxoheptanoic acid
8-amino-3,4,4a,10a-tetrahydroxy-2-(hydroxymethyl)-3,4,7,8-tetrahydro-2H-pyrano[2,3-b][1,4]dioxocine-6,9-dione
(4E)-4-[2-(2-carboxypyrrolidin-1-ium-1-ylidene)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
N-(4-tert-butyl-2-thiazolyl)-4-chlorobenzohydrazide
5-(4-methylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
Ala-Gly-Tyr
A tripeptide composed of L-alanine, glycine, and L-tyrosine joined in sequence by peptide linkages.
2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetic acid
6-[[(2-Methoxycarbonyl-3-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
N-(4-methoxyphenyl)-4-(methylthio)benzenesulfonamide
2-[(2-pyridinylthio)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one
3-[[2-Benzofuranyl(oxo)methyl]amino]benzoic acid ethyl ester
2-(4-Acetyl-1-piperazinyl)-6-amino-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
2-(5-Amino-1-phenyl-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
2-(2-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
methyl (5E)-5-(furan-2-ylmethylidene)-2-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid ethyl ester
1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
N-[(E)-(3-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
4,5-Dimethyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(phenylthio)acetamide
2-(2-methoxyethylthio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
3-methyl-N-[(4-methylphenyl)methyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine
Phenguignardate
A monocarboxylic acid anion that is the conjugate base of phenguignardic acid, obtained from the derotonation of the carboxy group. Major species at pH 7.3.
N-[[1H-indol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester
4-[(E)-[[5-(Trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]benzoic acid
2-amino-N-(2,3,4,5-tetrahydro-2,5-dioxo-1h-1-benzazepin-3-yl)benzamide
(S)-3-((6-(methoxymethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-2,3-dihydrothiophene 1,1-dioxide
2-[(2R,3R,6S)-3-[(2-fluorobenzoyl)amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-3-[(2-fluorobenzoyl)amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3S,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3R,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3S,6S)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6S)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
Methyl 5-[(2-ethoxycarbonyl-3-oxohex-1-enyl)amino]uran-2-carboxylate
(3E)-3-(1,3-benzothiazol-2-ylhydrazinylidene)-1-phenylbutan-1-one
1-S-[(3S)-N,3-dihydroxypent-4-enimidoyl]-1-thio-D-glucopyranose
(2S,4E)-4-[2-[(2S)-2-carboxypyrrolidin-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
(3S)-6,7-dimethyl-5-phenylspiro[1H-indole-3,2-3H-1,3,4-thiadiazole]-2-one
2-[(3,6-Dihydroxy-5-methoxy-7-methyl-4-oxochromen-2-yl)amino]propanoic acid
3H-isoindol-1-yl (3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carboxylate
domoate(2-)
A tricarboxylic acid anion that is the conjugate base of domoic acid, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
N-[5-(4,5-Dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
terreazepine
A member of the class of benzazepines that is 2,3,4,5-tetrahydro-1H-1-benzazepine substituted by oxo groups at positions 2 and 5 and a o-aminobenzamido group at position 4. It is a secondary metabolite found in Aspergillus terreus.
gamma-Glu-Tyr(1-)
A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of gamma-Glu-Tyr. Major species at pH 7.3.
2-hydroxy-3-butenyldesulfoglucosinolate
A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of (3S)-N,3-dihydroxypent-4-enethioamide with beta-D-glucopyranose.
Aceneuramate
N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
A2A receptor antagonist 1
A2A receptor antagonist 1 (CPI-444 analog) is an antagonist of both adenosine A2A receptor and A1 receptor with Ki values of 4 and 264 nM, respectively[1].
CCT129957
CCT129957 is an indole derivative and a potent phospholipase C-γ (PLC-γ) inhibitor with an IC50 of ~3 μM and a GC50 of 15 μM. CCT129957 inhibits Ca2+ release in squamous carcinoma cells at ~15 μM[1][2].
ZINC69391
ZINC69391, a specific Rac1 inhibitor, interferes with Rac1-GEF interaction by masking Trp56 residue on Rac1 surface. ZINC69391 interferes with the interaction of Rac1 with Dock180 and reduces Rac1-GTP levels. ZINC69391 induces apoptosis, and shows antiproliferative and antimetastatic effects[1][2][3].
(2s,3r,4s,5s,6r)-2-{[2-ethyl-1-(hydroxyimino)butyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,11,15,17-hexaen-14-one
n-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboximidic acid
5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(22),2,4(8),9,16(23),17-hexaene
1h-indol-3-yl (2r,3s,4s,5r)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate
(2s)-4,9-dihydroxy-2-(prop-1-en-2-yl)-2h,3h,10h-furo[3,2-b]acridin-5-one
(2s,3r,4s,4ar,11br)-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridine-2,3,4,6,7-pentol
10,11-dihydroxy-1-(hydroxymethyl)-7,8-dihydro-6-azatetraphen-5-one
aristolactam c ii
{"Ingredient_id": "HBIN016767","Ingredient_name": "aristolactam c ii","Alias": "NA","Ingredient_formula": "C18H15NO4","Ingredient_Smile": "NA","Ingredient_weight": "309.32","OB_score": "NA","CAS_id": "106283-30-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6677","PubChem_id": "NA","DrugBank_id": "NA"}
aristolactam c ii; 1'-carboxylic acid,o2-de-me
{"Ingredient_id": "HBIN016768","Ingredient_name": "aristolactam c ii; 1'-carboxylic acid,o2-de-me","Alias": "NA","Ingredient_formula": "C17H11NO5","Ingredient_Smile": "NA","Ingredient_weight": "309.27","OB_score": "NA","CAS_id": "106283-33-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6676","PubChem_id": "NA","DrugBank_id": "NA"}
