Exact Mass: 309.133802
Exact Mass Matches: 309.133802
Found 500 metabolites which its exact mass value is equals to given mass value 309.133802,
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.
Fluperlapine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
9-O-Acetylneuraminic acid
C11H19NO9 (309.10597640000003)
The acetate ester of the primary hydroxy group of neuraminic acid.
N-Glycolyl-Muramic Acid
C11H19NO9 (309.10597640000003)
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
C11H19NO9 (309.10597640000003)
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.
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
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).
Koenigine
C19H19NO3 (309.13648639999997)
Koenigine is found in herbs and spices. Koenigine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree
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.
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.
Metixene
Metixene is only found in individuals that have used or taken this drug. It is a anticholinergic used as an anti-parkinson drug. [Wikipedia]Parkinsonism is thought to result from an imbalance between the excitatory (cholinergic) and inhibitory (dopaminergic) systems in the corpus striatum. The mechanism of action of centrally active anticholinergic drugs such as metixene is considered to relate to competitive antagonism of acetylcholine at muscarinic receptors in the corpus striatum, which then restores the balance. N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian 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.
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.
N-Benzyl-9-(tetrahydro-2H-pyran-2-YL)adenine
BAP9THP is a synthetic cytokinin derivative and a growth regulator. BAP9THP promotes chlorophyll retention (and senescence delay) in plant tissues exceptionally strongly, and growth of tobacco callus almost as strongly as 6-Benzylaminopurine (BAP). BAP9THP induces adventitious shoot formation ignificantly more strongly than N6-isopentenyladenine or Kinetin[1][2].
3h-Sialic acid
C11H19NO9 (309.10597640000003)
8-Hydroxyondansetron
C18H19N3O2 (309.14771939999997)
N-[5-(4,5-Dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
C14H19N3O3S (309.11470640000005)
Diacetazotol
C18H19N3O2 (309.14771939999997)
Gevotroline
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Glucose-6-glutamate
C11H19NO9 (309.10597640000003)
Nerisopam
C18H19N3O2 (309.14771939999997)
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
9-O-Acetylneuraminic acid
C11H19NO9 (309.10597640000003)
Pyridone 6
Aceneuramic acid
C11H19NO9 (309.10597640000003)
vibunazole
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
(-)-Stephanine; (R)-(-)-Stephanine; 8-Methoxy-1,2-(methylenedioxy)-6abeta-aporphine; Stephanin; l-Stephanine
C19H19NO3 (309.13648639999997)
N-Acetylneuraminic acid
C11H19NO9 (309.10597640000003)
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.
7-methoxyheptaphylline
C19H19NO3 (309.13648639999997)
A natural product found in Clausena harmandiana.
4-[oxo(2-oxolanyl)methyl]-N-thiophen-2-yl-1-piperazinecarboxamide
C14H19N3O3S (309.11470640000005)
N-({[1-Methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}oxy)benzenecarboximidamide
2-[(1-Benzyl-4-piperidyl)amino]-6-fluorobenzonitrile
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
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.
3-Deoxy-3-methylaminoxylose-beta-D-Furanose-form-Me glycoside, 5-benzyl, N-Ac
2-(3,4-Dimethoxy-phenaethyl)-chinolin-4-ol|2-(3,4-dimethoxy-phenethyl)-quinolin-4-ol
C19H19NO3 (309.13648639999997)
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
C19H19NO3 (309.13648639999997)
1-benzo[1,3]dioxol-5-ylmethyl-7-methoxy-isoquinolin-6-ol
6-acetyl-2-hydroxy-1-methoxynoraporphine
C19H19NO3 (309.13648639999997)
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
C19H19NO3 (309.13648639999997)
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline
C19H19NO3 (309.13648639999997)
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
1-(3,3-dimethyl allyl)-2-hydroxy-3-formyl-8-meth-oxycarbazole
C19H19NO3 (309.13648639999997)
methyl 1-methyl-2-benzyl-5-methoxyindole-3-carboxylate
C19H19NO3 (309.13648639999997)
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
6-[1-(6,6-Dimethyl-3-oxo-bicyclo[3.1.0]hex-2-ylidene)-ethylamino]-chromen-2-one
C19H19NO3 (309.13648639999997)
N-Acetylneuraminate
C11H19NO9 (309.10597640000003)
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.
FLU_310.1415_14.5
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 700
FLUPERLAPINE
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
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
BAP9THP
CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8671; ORIGINAL_PRECURSOR_SCAN_NO 8666 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8607; ORIGINAL_PRECURSOR_SCAN_NO 8605 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8711; ORIGINAL_PRECURSOR_SCAN_NO 8710 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8730; ORIGINAL_PRECURSOR_SCAN_NO 8727 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8753; ORIGINAL_PRECURSOR_SCAN_NO 8748 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8722; ORIGINAL_PRECURSOR_SCAN_NO 8720 BAP9THP is a synthetic cytokinin derivative and a growth regulator. BAP9THP promotes chlorophyll retention (and senescence delay) in plant tissues exceptionally strongly, and growth of tobacco callus almost as strongly as 6-Benzylaminopurine (BAP). BAP9THP induces adventitious shoot formation ignificantly more strongly than N6-isopentenyladenine or Kinetin[1][2].
N-Acetylneuraminic acid; LC-tDDA; CE10
C11H19NO9 (309.10597640000003)
N-Acetylneuraminic acid; LC-tDDA; CE20
C11H19NO9 (309.10597640000003)
N-Acetylneuraminic acid; LC-tDDA; CE30
C11H19NO9 (309.10597640000003)
N-Acetylneuraminic acid; LC-tDDA; CE40
C11H19NO9 (309.10597640000003)
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
metixene
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Tyr-GLN
A dipeptide formed from L-tyrosine and L-glutamine residues.
Kenigine
C19H19NO3 (309.13648639999997)
Cryptodorine
piperolactam C
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
ethyl 3-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate
C15H19NO4S (309.10347340000004)
(S)-TERT-BUTYL 3-(((BENZYLOXY)CARBONYL)AMINO)-4-HYDROXYBUTANOATE
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
1,2,4-Triazin-3(2H)-one,5,6-bis(4-methoxyphenyl)-
C17H15N3O3 (309.11133600000005)
(S)-Isopropyl 2-(benzyloxycarbonylamino)-5-hydroxypentanoate
2-acetamido-4,6-o-benzylidene-2-deoxy-d-glucopyranose
N-BOC-BELTA-ALANINE-BELTA-4-FLUOROPHENYL-N-CARBOXYANHYDRIDE
C15H16FNO5 (309.10124579999996)
4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
(R)-1-CBZ-3-HYDROXYMETHYLPYRROLIDINE
C19H19NO3 (309.13648639999997)
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
C13H20NNaO4S (309.10106800000005)
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
2-BENZYL-2-AZA-SPIRO[4.5]DECANE-4-CARBOXYLIC ACID HYDROCHLORIDE
1-(4-ISOBUTYLPHENYL)-3-(3-NITROPHENYL)PROP-2-EN-1-ONE
C19H19NO3 (309.13648639999997)
4-[(4-Methoxybenzylidene)amino]cinnamic Acid Ethyl Ester
C19H19NO3 (309.13648639999997)
Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-diethyl ester
ETHYL 2-(2-CHLOROETHYLIDENE)-1-HYDRAZINECARBOXYLATE
C15H19NO4S (309.10347340000004)
2-[(4-TERT-BUTYLBENZOYL)AMINO]-4-(METHYLTHIO)BUTANOIC ACID
methyl 1-benzyl-2-ethyl-5-hydroxyindole-3-carboxylate
C19H19NO3 (309.13648639999997)
Sangivamycin
C12H15N5O5 (309.10731400000003)
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-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carbonitrile
2-(BOC-AMINO)-6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID
TRANS-1-(METHYLSULFONYL)SPIRO[CYCLOHEXANE-1,3-INDOLINE]-4-CARBOXYLIC ACID
C15H19NO4S (309.10347340000004)
4-(3-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
2-N-BOC-2-AMINOMETHYL-3-(3-METHOXY-PHENYL)-PROPIONIC ACID
4-([4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIEN-2-YL]METHYL)MORPHOLINE
C15H24BNO3S (309.15698640000005)
BOC-TRANS-4-(3-FLUOROPHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
4-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHEN-2-YL)METHYL)MORPHOLINE
C15H24BNO3S (309.15698640000005)
1-Hexylpyridinium Hexafluorophosphate
C11H18F6NP (309.10809900000004)
2-N-BOC-2-AMINOMETHYL-3-(4-METHOXYPHENYL)-PROPIONIC ACID
1-[3-(Benzoyloxy)propyl]-2,3-dihydro-1H-indole-5-carboxaldehyde
C19H19NO3 (309.13648639999997)
9-[(2-Acetoxyethoxy)methyl]-acetylguanine
C12H15N5O5 (309.10731400000003)
3-[methyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
4-chloro-7-triisopropylsilanyl-7H-pyrrolo[2,3-d]pyrimidine
C15H24ClN3Si (309.14279339999996)
N-(1-PHENYL-4,5-DIHYDRO-1 H-PYRAZOL-3-YL)-PHTHALAMIC ACID
C17H15N3O3 (309.11133600000005)
tert-Butyl [1-(2,5-difluorophenyl)-1-oxo-4-pentyn-2-yl]carbamate
C16H17F2NO3 (309.11764360000006)
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
C17H15N3O3 (309.11133600000005)
(5-amino-2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
C19H19NO3 (309.13648639999997)
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
1-[4-(Benzyloxy)-1H-indol-2-yl]ethyl acetate
C19H19NO3 (309.13648639999997)
(R)-beta-[[(tert-Butoxy)carbonyl]amino]-1,3-benzodioxole-5-propanoic acid
ethyl 6-(difluoromethoxy)-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylate
C16H17F2NO3 (309.11764360000006)
1-[(3-aminopropyl)amino]-4-(methylamino)anthraquinone
C18H19N3O2 (309.14771939999997)
(2S,4R)-3-BENZOYL-4-ETHYL-4-METHYL-2-PHENYL-OXAZOLIDIN-5-ONE
C19H19NO3 (309.13648639999997)
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid
C19H19NO3 (309.13648639999997)
4-(4-Styryl-phenylcarbamoyl)-butyric acid
C19H19NO3 (309.13648639999997)
Cyclohepta(b)pyrazolo(3,4-d)pyridin-3(2H)-one, 5,6,7,8,9,10-hexahydro-2-(4-methoxyphenyl)-
C18H19N3O2 (309.14771939999997)
1-[2-(2,5-Dimethylphenoxy)ethyl]-3-indolecarboxylic acid
C19H19NO3 (309.13648639999997)
ML-098 (CID-7345532) is an activator of the GTP-binding protein Rab7 with an EC50 of 77.6 nM.
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine
C17H15N3O3 (309.11133600000005)
4-Benzyl-1-{thieno[2,3-d]pyrimidin-4-yl}piperidine
5-Methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dione
C19H19NO3 (309.13648639999997)
Ethyl 5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
C19H19NO3 (309.13648639999997)
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
C17H15N3O3 (309.11133600000005)
6,7-dimethoxy-N-[(4-methylphenyl)methyl]quinazolin-4-amine
C18H19N3O2 (309.14771939999997)
2-Amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
C18H19N3O2 (309.14771939999997)
7-Hydroxy-8-methyl-4-[[methyl-(phenylmethyl)amino]methyl]-1-benzopyran-2-one
C19H19NO3 (309.13648639999997)
1-[(2s)-4-(5-Phenyl-1h-Pyrazolo[3,4-B]pyridin-4-Yl)morpholin-2-Yl]methanamine
1-((1R)-1-(Hydroxymethyl)-3-(1-naphthyl)propyl)-1H-imidazole-4-carboxamide
C18H19N3O2 (309.14771939999997)
4-Hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid anion
C14H17N2O6- (309.10865620000004)
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.
Fructosyllysine(1+)
C12H25N2O7+ (309.16616799999997)
An amino-acid cation comprising fructosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3.
Psicosyllysine(1+)
C12H25N2O7+ (309.16616799999997)
An amino-acid cation comprising psicosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3.
Domoate
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents
7-(3-Amino-5-hydroxyphenyl)-7-hydroxy-2,6-dimethyl-3,5-dioxoheptanoic acid
(4E)-4-[2-(2-carboxypyrrolidin-1-ium-1-ylidene)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
C14H17N2O6+ (309.10865620000004)
1-[(1E,3Z)-5-(2-carboxypyrrolidin-1-ium-1-ylidene)-4-hydroxypenta-1,3-dienyl]pyrrolidine-2-carboxylic acid
1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-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
N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-1H-indole-3-carbohydrazide
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
1-[(2-Ethyl-4-hydroxy-4-methyl-1-oxopentyl)amino]-3-phenylthiourea
2-(5,7-Dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl ester
C18H19N3O2 (309.14771939999997)
N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
C18H19N3O2 (309.14771939999997)
(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
C18H19N3O2 (309.14771939999997)
2-chloro-N-[2-(2,2-dimethyl-4-phenyl-4-oxanyl)ethyl]acetamide
1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(1-phenylethyl)acetamide
C18H19N3O2 (309.14771939999997)
1-Butyl-3-[(2-hydroxyphenyl)hydrazinylidene]-2-indolone
C18H19N3O2 (309.14771939999997)
3-methyl-N-[(4-methylphenyl)methyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine
1-[5-hydroxy-3-methyl-5-(3-pyridinyl)-4H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone
C18H19N3O2 (309.14771939999997)
N-[[1H-indol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester
C17H15N3O3 (309.11133600000005)
2-amino-N-(2,3,4,5-tetrahydro-2,5-dioxo-1h-1-benzazepin-3-yl)benzamide
C17H15N3O3 (309.11133600000005)
5-Fluoro-2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole
1-[9-Ethyl-6-(1-hydroxyiminoethyl)-3-carbazolyl]ethanone oxime
C18H19N3O2 (309.14771939999997)
6-[[(2-Isopropoxyphenyloxy)carbonyl]amino]hexanoic acid
2-[(2R,3R,6S)-3-[(2-fluorobenzoyl)amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
C15H16FNO5 (309.10124579999996)
2-[(2R,3R,6R)-3-[(2-fluorobenzoyl)amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
C15H16FNO5 (309.10124579999996)
2-[(2R,3S,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
C15H16FNO5 (309.10124579999996)
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C18H19N3O2 (309.14771939999997)
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(3-pyridinyl)methanone
C18H19N3O2 (309.14771939999997)
5-tert-butyl-2-methyl-N-quinoxalin-6-ylpyrazole-3-carboxamide
2-[(2S,3R,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
C15H16FNO5 (309.10124579999996)
2-[(2R,3S,6S)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
C15H16FNO5 (309.10124579999996)
2-[(2S,3S,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
C15H16FNO5 (309.10124579999996)
2-[(2S,3S,6S)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
C15H16FNO5 (309.10124579999996)
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C18H19N3O2 (309.14771939999997)
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C18H19N3O2 (309.14771939999997)
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C18H19N3O2 (309.14771939999997)
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(3-pyridinyl)methanone
C18H19N3O2 (309.14771939999997)
Methyl 5-[(2-ethoxycarbonyl-3-oxohex-1-enyl)amino]uran-2-carboxylate
(Z)-4-glutaramidostilbene
C19H19NO3 (309.13648639999997)
A stilbenoid obtained by formal condensation of the amino group of (Z)-4-aminostilbene with one of the carboxy groups of glutaric acid.
N(2)-[(R)-2-amino-2-phenylacetyl]-N-butyl-L-cysteinamide
4-(2-Aminopropanoylamino)-5-[(6-aminopyridin-2-yl)amino]-5-oxopentanoic acid
2-(4-Methoxyanilino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
C18H19N3O2 (309.14771939999997)
(2S)-2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3-hydroxy-2-methylpropanenitrile
(2S,4E)-4-[2-[(2S)-2-carboxypyrrolidin-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
C14H17N2O6+ (309.10865620000004)
4-Acetylamino-5,7-dimethylflavanone
C19H19NO3 (309.13648639999997)
6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one
C19H19NO3 (309.13648639999997)
N-[[(E)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
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
C14H19N3O3S (309.11470640000005)
terreazepine
C17H15N3O3 (309.11133600000005)
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-)
C14H17N2O6 (309.10865620000004)
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.
Aceneuramate
C11H19NO9 (309.10597640000003)
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
C17H15N3O3 (309.11133600000005)
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
C14H14F3N5 (309.12012400000003)
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].
(12s)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C19H19NO3 (309.13648639999997)
(12s)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C19H19NO3 (309.13648639999997)
(2s,3r,4s,5s,6r)-2-{[2-ethyl-1-(hydroxyimino)butyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
C12H23NO6S (309.12460180000005)
methyl 6-[cyclohex-2-en-1-yl(hydroxy)methyl]-4-hydroxy-6a-methyl-2h,3h,3ah-furo[2,3-c]pyrrole-6-carboxylate
(2e)-n-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-n-methyl-3-phenylprop-2-enamide
C19H19NO3 (309.13648639999997)
16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C19H19NO3 (309.13648639999997)
methyl 1-hydroxy-4-(3-methylbut-2-en-1-yl)-9h-carbazole-3-carboxylate
C19H19NO3 (309.13648639999997)
1,11,12-trimethyl-6-phenyl-8,10-dioxa-4-azatricyclo[7.4.0.0²,⁷]trideca-2,4,6,12-tetraen-3-ol
C19H19NO3 (309.13648639999997)
18-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C19H19NO3 (309.13648639999997)
1,3-dihydroxy-10-methyl-4-(3-methylbut-2-en-1-yl)acridin-9-one
C19H19NO3 (309.13648639999997)
(2s,3r,6s)-6-(hydroxymethyl)-3,4-dimethyl-9-phenyl-7-oxa-11-azatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraen-12-ol
C19H19NO3 (309.13648639999997)
(12s)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C19H19NO3 (309.13648639999997)
4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboximidic acid
C12H15N5O5 (309.10731400000003)
2-{[4-hydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,7s)-7-{[(2-hydroxyprop-2-enoyl)oxy]methyl}-hexahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
1-[(9r)-15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl]ethanone
C19H19NO3 (309.13648639999997)
(2r,3s,6r)-4-(hydroxymethyl)-3,6-dimethyl-9-phenyl-7-oxa-11-azatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraen-12-ol
C19H19NO3 (309.13648639999997)
15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-10-carbaldehyde
C19H19NO3 (309.13648639999997)
(1r)-2-(dimethylamino)-1-{2h-phenanthro[3,4-d][1,3]dioxol-5-yl}ethanol
C19H19NO3 (309.13648639999997)
8-[(dimethylamino)methyl]-7-hydroxy-2-methyl-3-phenylchromen-4-one
C19H19NO3 (309.13648639999997)
2-{[3-hydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r)-2-(2-hydroxypropan-2-yl)-4-methoxy-2h,3h,5h-cyclopenta[b]carbazol-1-one
C19H19NO3 (309.13648639999997)
(2r,3s,6r)-9-(4-hydroxyphenyl)-3,4,6-trimethyl-7-oxa-11-azatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraen-12-ol
C19H19NO3 (309.13648639999997)
n-{2-[(1,3-dihydroxybutan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}ethanimidic acid
5-(3-methylbutyl)-9h-[1,3]dioxolo[4,5-j]phenanthridin-6-one
C19H19NO3 (309.13648639999997)
(2e)-3-(2h-1,3-benzodioxol-5-yl)-n-methyl-n-(2-phenylethyl)prop-2-enamide
C19H19NO3 (309.13648639999997)
2-methoxy-4-[2-(4-methoxyquinolin-2-yl)ethyl]phenol
C19H19NO3 (309.13648639999997)
(12r)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C19H19NO3 (309.13648639999997)
2-(dimethylamino)-1-{2h-phenanthro[3,4-d][1,3]dioxol-5-yl}ethanol
C19H19NO3 (309.13648639999997)
7-methoxy-3-methyl-8-(3-methylbut-2-en-1-yl)-9h-carbazole-1,4-dione
C19H19NO3 (309.13648639999997)
2-[(2-hydroxy-3,4-dihydroquinolin-8-yl)oxy]-5-methoxyoxane-3,4-diol
(2r,3s,6r)-6-(hydroxymethyl)-3,4-dimethyl-9-phenyl-7-oxa-11-azatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraen-12-ol
C19H19NO3 (309.13648639999997)
(9r)-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-10-carbaldehyde
C19H19NO3 (309.13648639999997)
methyl (3ar,6r,6as)-6-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-hydroxy-6a-methyl-2h,3h,3ah-furo[2,3-c]pyrrole-6-carboxylate
6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
(1r,9s,11r)-1,11,12-trimethyl-6-phenyl-8,10-dioxa-4-azatricyclo[7.4.0.0²,⁷]trideca-2,4,6,12-tetraen-3-ol
C19H19NO3 (309.13648639999997)
(4s,5r,6r,7s,8r)-4,6,7,8,9-pentahydroxy-5-[(1-hydroxyethylidene)amino]-2-oxononanoic acid
C11H19NO9 (309.10597640000003)
(2r,3r,4s,5s,6r)-2-{[(2r,3r,4r)-4-hydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(12r)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C19H19NO3 (309.13648639999997)
(2s)-2-[(2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)propanoic acid
7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene
C19H19NO3 (309.13648639999997)
(12r)-7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene
C19H19NO3 (309.13648639999997)
15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C19H19NO3 (309.13648639999997)
2-{[(6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl)(hydroxy)methylidene]amino}-3-hydroxybutanoic acid
3-(2h-1,3-benzodioxol-5-yl)-n-methyl-n-(2-phenylethyl)prop-2-enamide
C19H19NO3 (309.13648639999997)
1-[(9s)-16-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-10-yl]ethanone
C19H19NO3 (309.13648639999997)
3-hydroxy-10-methyl-1-[(3-methylbut-2-en-1-yl)oxy]acridin-9-one
C19H19NO3 (309.13648639999997)
(2s,3r)-2-({[(3as,6r,7as)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl](hydroxy)methylidene}amino)-3-hydroxybutanoic acid
(1s,9r,11s)-1,11,12-trimethyl-6-phenyl-8,10-dioxa-4-azatricyclo[7.4.0.0²,⁷]trideca-2,4,6,12-tetraen-3-ol
C19H19NO3 (309.13648639999997)
methyl 5-(4,5,6-trihydroxy-7-methyl-1-oxo-3h-isoindol-2-yl)pentanoate
(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r)-4-hydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-14-ol
C19H19NO3 (309.13648639999997)
(1r,4s,5r,6s,16r)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
4-methoxy-3-methyl-6-[8-(1h-pyrrol-2-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one
C19H19NO3 (309.13648639999997)
(7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl)methyl 2,3,4-trimethyl-5-oxooxolane-3-carboxylate
5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
8-methoxy-3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-9-ol
C19H19NO3 (309.13648639999997)
(2r,3r,4s,5s,6r)-2-{[(2r,3r,4r)-3-hydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-ol
C19H19NO3 (309.13648639999997)
(2r,3r)-2-[(2e)-but-2-en-2-yl]-4-hydroxy-3-methyl-5-phenyl-2h-furo[2,3-b]pyridine-3-carbaldehyde
C19H19NO3 (309.13648639999997)
1-{5-hydroxy-8,8-dimethyl-9h,10h,11h-phenanthro[3,4-d][1,3]oxazol-4-yl}ethanone
C19H19NO3 (309.13648639999997)
1-hydroxy-10-methyl-3-[(3-methylbut-2-en-1-yl)oxy]acridin-9-one
C19H19NO3 (309.13648639999997)
(2s,3r,6s)-9-(4-hydroxyphenyl)-3,4,6-trimethyl-7-oxa-11-azatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraen-12-ol
C19H19NO3 (309.13648639999997)
4-methoxy-3-methyl-6-[(1e,3e,5e,7e)-8-(1h-pyrrol-2-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one
C19H19NO3 (309.13648639999997)
4-{4-[(2-carboxyethyl)carbamoyl]phenoxy}-2-methylbutanoic acid
(4s,5r,6r)-2,4-dihydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
C11H19NO9 (309.10597640000003)
2-(2-hydroxypropan-2-yl)-4-methoxy-2h,3h,5h-cyclopenta[b]carbazol-1-one
C19H19NO3 (309.13648639999997)
2-hydroxy-8-methoxy-1-(3-methylbut-2-en-1-yl)-9h-carbazole-3-carbaldehyde
C19H19NO3 (309.13648639999997)
(2s,4s,5r,6r)-2,4-dihydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
C11H19NO9 (309.10597640000003)
n-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-n-methyl-3-phenylprop-2-enamide
C19H19NO3 (309.13648639999997)
(12r)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C19H19NO3 (309.13648639999997)
(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r)-3-hydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r)-4-{4-[(2-carboxyethyl)carbamoyl]phenoxy}-2-methylbutanoic acid
n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
1-{15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl}ethanone
C19H19NO3 (309.13648639999997)
2-(but-2-en-2-yl)-4-hydroxy-3-methyl-5-phenyl-2h-furo[2,3-b]pyridine-3-carbaldehyde
C19H19NO3 (309.13648639999997)
3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-16-ol
C19H19NO3 (309.13648639999997)
(1s,12s,13r,14s)-15-ethylidene-7-hydroxy-13-(hydroxymethyl)-3,17λ⁵-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8,16-pentaen-17-ylium
(2s,3r,4s,5s,6r)-2-{[(1z)-2-ethyl-1-(hydroxyimino)butyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
C12H23NO6S (309.12460180000005)
(1r,4r,5s,6r,16r)-6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C19H19NO3 (309.13648639999997)
4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboximidic acid
C12H15N5O5 (309.10731400000003)
(2s,3r)-2-[(2e)-but-2-en-2-yl]-5-hydroxy-3-methyl-8-phenyl-2h,3h-pyrano[3,2-c]pyridin-4-one
C19H19NO3 (309.13648639999997)
1-[(9s)-15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl]ethanone
C19H19NO3 (309.13648639999997)
19-hydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8-pentaen-14-one
C18H19N3O2 (309.14771939999997)
(2s)-4-{4-[(2-carboxyethyl)carbamoyl]phenoxy}-2-methylbutanoic acid
(2s,3r,6s)-4-(hydroxymethyl)-3,6-dimethyl-9-phenyl-7-oxa-11-azatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraen-12-ol
C19H19NO3 (309.13648639999997)
2-methoxy-5-[2-(4-methoxyquinolin-2-yl)ethyl]phenol
C19H19NO3 (309.13648639999997)
(15r,19r,20s)-19-hydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8-pentaen-14-one
C18H19N3O2 (309.14771939999997)