Exact Mass: 223.1208372
Exact Mass Matches: 223.1208372
Found 500 metabolites which its exact mass value is equals to given mass value 223.1208372,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
bendiocarb
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 8476 CONFIDENCE standard compound; INTERNAL_ID 4024 CONFIDENCE standard compound; INTERNAL_ID 2606 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Mepanipyrim
CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9352; ORIGINAL_PRECURSOR_SCAN_NO 9351 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9350; ORIGINAL_PRECURSOR_SCAN_NO 9348 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9334; ORIGINAL_PRECURSOR_SCAN_NO 9332 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9294; ORIGINAL_PRECURSOR_SCAN_NO 9293 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9313 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9337; ORIGINAL_PRECURSOR_SCAN_NO 9336 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3062
Neostigmine
Neostigmine is only found in individuals that have used or taken this drug. It is a cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike physostigmine, does not cross the blood-brain barrier. [PubChem]Neostigmine is a parasympathomimetic, specifically, a reversible cholinesterase inhibitor. The drug inhibits acetylcholinesterase which is responsible for the degredation of acetylcholine. So, with acetylcholinesterase inhibited, more acetylcholine is present By interfering with the breakdown of acetylcholine, neostigmine indirectly stimulates both nicotinic and muscarinic receptors which are involved in muscle contraction. It does not cross the blood-brain barrier. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics > N07AA - Anticholinesterases D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
Cerulenin
Cerulenin is an antifungal antibiotic that inhibits sterol and fatty acid biosynthesis. In fatty acid synthesis, reported to bind in equimolar ratio to b-keto-acyl-ACP synthase. In sterol synthesis, inhibits HMG-CoA synthetase activity. It is also shown to inhibit feeding and induce dramatic weight loss in mice. It is found naturally in the Cephalosporium caerulensfungus. [Wikipedia] D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4]. Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4].
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
1-benzyl-1,2,3,4-tetrahydroisoquinoline (1BnTIQ) as a possible PD-eliciting neurotoxin and evaluated its characteristics relevant to Parkinson disease (PD). 1BnTIQ exist in mammals and is proposed as possible PD-eliciting neurotoxin. PD is believed to be induced by the interaction of genetic predisposition and environmental factors, and a type of neurotoxin is proposed to be one of the environmental factors. 1BnTIQ inhibits [3H] dopamine uptake in HEK293 cells which stably express dopamine transporter. 1BnTIQ also inhibits NADH-ubiquinone oxidoreductase (complex I) in the mitochondrial respiratory chain. 1BnTIQ decreases the dopamine content in the mesencephalon in both dose- and time-dependent manners and it irreversibly reduced the dopamine content. Furthermore, it causes morphological changes in tyrosine hydroxylase-positive cells in the mesencephalon and reduced the number of cells. (PMID 12440154) [HMDB] 1-benzyl-1,2,3,4-tetrahydroisoquinoline (1BnTIQ) as a possible PD-eliciting neurotoxin and evaluated its characteristics relevant to Parkinson disease (PD). 1BnTIQ exist in mammals and is proposed as possible PD-eliciting neurotoxin. PD is believed to be induced by the interaction of genetic predisposition and environmental factors, and a type of neurotoxin is proposed to be one of the environmental factors. 1BnTIQ inhibits [3H] dopamine uptake in HEK293 cells which stably express dopamine transporter. 1BnTIQ also inhibits NADH-ubiquinone oxidoreductase (complex I) in the mitochondrial respiratory chain. 1BnTIQ decreases the dopamine content in the mesencephalon in both dose- and time-dependent manners and it irreversibly reduced the dopamine content. Furthermore, it causes morphological changes in tyrosine hydroxylase-positive cells in the mesencephalon and reduced the number of cells. (PMID 12440154). D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
Nicoboxil
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent Same as: D01677
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone is considered to be slightly soluble (in water) and relatively neutral
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is considered to be slightly soluble (in water) and relatively neutral
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone, also known as NNK-N-Oxide, is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone is considered to be practically insoluble (in water) and relatively neutral
bufexamac
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3322
Bucetin
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3469; ORIGINAL_PRECURSOR_SCAN_NO 3465 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3475; ORIGINAL_PRECURSOR_SCAN_NO 3473 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3486; ORIGINAL_PRECURSOR_SCAN_NO 3483 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3465; ORIGINAL_PRECURSOR_SCAN_NO 3462 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3484; ORIGINAL_PRECURSOR_SCAN_NO 3482 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3508; ORIGINAL_PRECURSOR_SCAN_NO 3507 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7495; ORIGINAL_PRECURSOR_SCAN_NO 7493 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7483; ORIGINAL_PRECURSOR_SCAN_NO 7481 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7505; ORIGINAL_PRECURSOR_SCAN_NO 7504 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7516; ORIGINAL_PRECURSOR_SCAN_NO 7513 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7539; ORIGINAL_PRECURSOR_SCAN_NO 7535 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7505; ORIGINAL_PRECURSOR_SCAN_NO 7503
N-acetyltyrosine
N-Acetyl-L-tyrosine or N-Acetyltyrosine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetyltyrosine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetyltyrosine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-tyrosine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetyltyrosine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free tyrosine can also occur. Many N-acetylamino acids, including N-acetyltyrosine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-Acetyl-L-tyrosine, has also been associated with several inborn metabolic disorders including tyrosinemia I and aromatic l-amino acid decarboxylase deficiency. N-acetyltyrosine, is used in place of as a tyrosine precursor and administered as a source of nutritional support where oral nutrition is inadequate or cannot be tolerated (PMID: 14621123). N-acetyltyrosine has also been identified as an endogenous stress response factor. Under stress conditions, mitochondria release low levels of reactive oxygen species (ROS), which triggers a cytoprotective response, called "mitohormesis". N-acetyltyrosine has recently been identified as an intrinsic triggering factor of mitohormesis in stressed animals (PMID: 32118349). Interventions and small molecules, which promote formation of reactive oxygen species (ROS), have been shown to increase stress resistance and lifespan of different model organisms. These phenotypes occur only in response to low concentrations of ROS, while higher concentrations of ROS exert opposing effects. In this regard, a stress-dependent increase in N-acetyltyrosine was recently found to occur in insect larvae that had endured high temperatures (i.e. thermal stress). N-acetyltyrosine treatment has also been demonstrated to induce thermotolerance in several tested insect species. N-acetyltyrosine has been identified in the serum of humans as well as mice, and its concentration in mice was shown to be increased by heat s... Acetyltyrosine is a side chain reaction of tyrosine. It converts to tyrosine and then can be used in neurotransmitter treatment as a precursor of cathecholamine (http://www.neuroassist.com/). [HMDB] N-Acetyl-L-tyrosine originates from tyrosine through an AA acetylase, is associated with aromatic L-amino acid decarboxylase deficiency and tyrosinemia I.
Salsolinol 1-carboxylate
Salsolinol-1-carboxylic acid is an intermediate metabolite formed during the synthesis with dopamine and pyruvate towards the endogenous neurotoxin, 1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline (salsolinol),which has been considered a potential causative factor for Parkinsons disease (PD). Salsolinol-1-carboxylic acid can be directly metabolized by an unknown enzyme to salsolinol or at first to 1,2-dehydrosalsolinol and then to salsolinol. Salsolinol-1-carboxylic acid is an intermediate metabolite formed during the synthesis with dopamine and pyruvate towards the endogenous neurotoxin, 1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline (salsolinol),which has been considered a potential causative factor for Parkinsons disease (PD)
2-hydroxyphenylpropionylglycine
2-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 2-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.
3-hydroxyphenylpropionylglycine
3-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 3-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.
4-hydroxyphenylpropionylglycine
4-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 4-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.ÂÂ
5-hydroxyphenylpropionylglycine
5-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 5-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.
6-hydroxyphenylpropionylglycine
6-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 6-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.ÂÂ
Salsolinol-1-carboxylic acid
N-(2-Methylacryloyl)-L-histidine
Dorsiflex
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics
Tiletamine Hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
5-(hydroxymethyl)-4-(4-methoxyphenyl)oxazolidin-2-one
TILETAMINE
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
MEPHENOXALONE
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics
Etamivan
R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid
7,8-dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-6-ol
3-ethoxy-4-vinyl-3,4,4a,5,6,7-hexahydro-pyrano[3,4-c]pyridin-8-one|?藛1.8a-Isomer-Spicatine+
(4aS,7aS)-methyl 7-(hydroxymethyl)-1-oxo-2,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate|gardenamide|gardenamide A
(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-methanol
6-(3-methylbutylamino)-2-hydroxy-7,8-dihydropurine
2-Propenamide, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-
5-hydroxy-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
N-(3,4-dimethoxyphenethyl)-guanidine
C11H17N3O2 (223.13207020000002)
N,N-dihydroxytrihomomethionine
An N,N-dihydroxy-alpha-amino acid having a 6-thiaheptyl substituent at the 2-position.
Cerulenin
An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function. D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4]. Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4].
N-Acetyl-L-tyrosine
An N-acetyltyrosine in which the chiral centre has L configuration. N-Acetyl-L-tyrosine originates from tyrosine through an AA acetylase, is associated with aromatic L-amino acid decarboxylase deficiency and tyrosinemia I.
Fadrozole
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5528; ORIGINAL_PRECURSOR_SCAN_NO 5526 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5562; ORIGINAL_PRECURSOR_SCAN_NO 5560 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9313 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9314 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9337; ORIGINAL_PRECURSOR_SCAN_NO 9336 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9352; ORIGINAL_PRECURSOR_SCAN_NO 9351
Rimiterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Acetyl-L-tyrosine
N-Acetyl-L-tyrosine originates from tyrosine through an AA acetylase, is associated with aromatic L-amino acid decarboxylase deficiency and tyrosinemia I.
Ethyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate
2,4-DIAMINO-6-(METHACRYLOYLOXY)ETHYL-1,3,5-TRIAZINE
C9H13N5O2 (223.10691980000001)
3-Fluoropyridine-4-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
methyl 2-amino-6-fluoro-3,4-dihydro-1H-naphthalene-2-carboxylate
1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-4-AMINE
C10H18BN3O2 (223.14919980000002)
3-cyclohexyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
5-METHYL-4-PIPERIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID
tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
C11H17N3O2 (223.13207020000002)
6-Fluoropyridine-2-Boronic Acid Pinacol Ester
C11H15BFNO2 (223.11798120000003)
5-METHYL-1-PHENYL-(1H-PYRAZOL-4-YLMETHYL)AMINE HYDROCHLORIDE
3-AMINO-3-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-PROPIONIC ACID
5H-Dibenzo[a,d]cyclohepten-5-one,10,11-dihydro-, oxime
(6-Amino-pyridin-3-ylmethyl)-carbamic acid tert-butyl ester
C11H17N3O2 (223.13207020000002)
1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine hydrochloride
3-AMINO-3-(2,5-DIMETHYL-4-METHOXY-PHENYL)-PROPIONIC ACID
5-(hydroxymethyl)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
Benzenamine, 4-(4-ethyl-1-piperazinyl)-2-fluoro- (9CI)
2-Fluoropyridine-5-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
tert-butyl N-[(1S,2S)-3-chloro-2-hydroxy-1-methyl-propyl]carbamat e
4,7-Methano-2H-isoindole-2-aceticacid, octahydro-1,3-dioxo-
(6-(Dimethoxymethyl)furo[3,2-b]pyridin-2-yl)methanol
1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxylic acid
5-Fluoropyridine-2-Boronic Acid Pinacol Ester
C11H15BFNO2 (223.11798120000003)
TERT-BUTYL 4,7-DIHYDROFURO[2,3-C]PYRIDINE-6(5H)-CARBOXYLATE
Selegiline HCl
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D020011 - Protective Agents
(4-CYCLOPROPYL-6-TRIFLUOROMETHYL-PYRIMIDIN-2-YL)-HYDRAZINE
1-BENZYL-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE
4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C11H15BFNO2 (223.11798120000003)
N-Cyclopropyl-1,2,3,4-tetrahydro-2-naphthalenamine hydrochloride (1:1)
1H-Benz[f]isoindole,2-cyclopropyl-2,3-dihydro-6-methyl-(9CI)
4-METHYL-2-MORPHOLIN-4-YL-PYRIMIDINE-5-CARBOXYLIC ACID
1,2,3,4-TETRAHYDRO-7-HYDROXY-6-METHOXY-3-ISOQUINOLINECARBOXYLIC ACID
5-FLUORO-3-(4-HYDROXY-BUTYL)-1,3-DIHYDRO-INDOL-2-ONE
(4-((3-HYDROXYPROPYL)CARBAMOYL)PHENYL)BORONIC ACID
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
Tert-Butyl 5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
C11H17N3O2 (223.13207020000002)
Epichlorohydrin-3,3-iminobispropylamine polymer
C9H22ClN3O (223.14513119999998)
Ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
methyl 6-[(2-amino-2-methyl-propyl)amino]pyridine-3-carboxylate
C11H17N3O2 (223.13207020000002)
(6-chloro-pyridin-3-yl)-morpholin-4-yl-methanone
C11H17N3O2 (223.13207020000002)
2-(4-Methyl-1-piperazinyl)-5-nitropyrimidine
C9H13N5O2 (223.10691980000001)
N-METHOXY-N-METHYL-2,3-DIHYDROBENZO[B][1,4]DIOXINE-2-CARBOXAMIDE
n-Methyl-(2-thiomorpholinopyrid-4-yl)methylamine
5-Fluoropyridine-3-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
1-(2-methoxyethyl)-3-piperidinecarboxylic acid(SALTDATA: HCl)
tert-Butyl 5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate
C11H17N3O2 (223.13207020000002)
1-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
5-(TERT-BUTYL)-4,5,6,7-TETRAHYDROBENZO[D]ISOXAZOLE-3-CARBOXYLIC ACID
(4-HYDROXY-2-METHYLPHENYL)CARBAMIC ACID TERT-BUTYL ESTER
2-ACETAMIDO-2,4-DIDEOXY-4-FLUORO-ALPHA-D-GLUCOPYRANOSE
C8H14FNO5 (223.08559659999997)
tert-Butyl 3-(1H-pyrazol-1-yl)azetidine-1-carboxylate
C11H17N3O2 (223.13207020000002)
6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
C11H17N3O2 (223.13207020000002)
methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate
2-(Boc-amino)-5-(aminomethyl)pyridine
C11H17N3O2 (223.13207020000002)
(S)-tert-butyl 2-amino-3,3-dimethylbutanoate hydrochloride
4-Amino-2-(Boc-amino)-5-methylpyridine
C11H17N3O2 (223.13207020000002)
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoic acid
2,4(1H,3H)-Pyrimidinedione,6-methyl-5-(1-piperidinylmethyl)-
C11H17N3O2 (223.13207020000002)
2-(2-hydroxyethyl-(5H-purin-6-yl)amino)ethanol
C9H13N5O2 (223.10691980000001)
(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)methanamine
(2S,4R)-4-(2-Fluorobenzyl)pyrrolidine-2-carboxylic acid
tert-Butyl (5-aminopyridin-2-yl)(methyl)carbamate
C11H17N3O2 (223.13207020000002)
tert-butyl 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate
C11H17N3O2 (223.13207020000002)
2-Fluoropyridine-3-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
tert-butyl 1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
C11H17N3O2 (223.13207020000002)
(S)-1-(4-PHENYL-1H-IMIDAZOL-2-YL)ETHANAMINE HYDROCHLORIDE
3-(cyclohexylamino)-4-ethoxycyclobut-3-ene-1,2-dione
(2-amino-pyridin-4-ylmethyl)-carbamic acid tert-butyl ester
C11H17N3O2 (223.13207020000002)
2-Fluoropyridine-4-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
3,5-Dimethylisoxazole-4-boronic acid pinacol ester
C11H18BNO3 (223.13796680000002)
2-(Boc-amino)-4-(aminomethyl)pyridine
C11H17N3O2 (223.13207020000002)
Pyridine-2-boronic acid pinacol ester
C11H18BNO3 (223.13796680000002)
{4-[3-(Dimethylamino)propoxy]phenyl}boronic acid
C11H18BNO3 (223.13796680000002)
tert-butyl 6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
C11H17N3O2 (223.13207020000002)
(1R,4R)-4-(6-Methoxy-pyriMidin-4-ylaMino)-cyclohexanol
C11H17N3O2 (223.13207020000002)
(3-fluoro-5-(pyrrolidin-1-ylMethyl)phenyl)boronic acid
C11H15BFNO2 (223.11798120000003)
Pyrrolidinium, 1-methyl-1-propyl-, methanesulfonate
3-(2-Ethoxycarbonylethyl)-2,4-dimethyl-5-formylpyrrole
N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)methanimine
N-(2-HYDROXY-1,1-DIMETHYLETHYL)-2-METHOXYBENZENECARBOXAMIDE
4,6-dimethoxy-2-piperidin-4-ylpyrimidine
C11H17N3O2 (223.13207020000002)
3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
TERT-BUTYL 6,7-DIHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
C11H17N3O2 (223.13207020000002)
3-[(ALLYLAMINO)CARBONYL]BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
5-(AMINOMETHYL)-2-(N-BOC)AMINOPYRIDINE
C11H17N3O2 (223.13207020000002)
Methyl 1-amino-4-methoxycyclohexanecarboxylate hydrochloride
ETHYL 6-(TERT-BUTYL)-4-OXO-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid
4-Amino-2-(1-piperazinyl)-5-pyrimidinecarboxylic acid
C9H13N5O2 (223.10691980000001)
(4-((1H-PYRAZOL-1-YL)METHYL)PHENYL)METHANAMINE HYDROCHLORIDE
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
1H-Indole,1-(2,5-dimethylphenyl)-2,3-dihydro-(9CI)
Imafen hydrochloride
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid
N-[3,5-dimethyl-1-(1-oxopropyl)-4-pyrazolyl]propanamide
C11H17N3O2 (223.13207020000002)
Acetamide, N-[4-[(trimethylsilyl)oxy]phenyl]-
C11H17NO2Si (223.10285020000003)
2-Prolyl-5-tert-butyl-[1,3,4]oxadiazole
C11H17N3O2 (223.13207020000002)
Nicoboxil
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent Same as: D01677
Olivetolate
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of olivetolic acid. The major species at pH 7.3. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2-Amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropteridin-4-one
C9H13N5O2 (223.10691980000001)
A dihydropterin that is 2-amino-6-hydroxymethyl-7,8-dihydropteridin-4-one with two methyl substituents at position 7.
2-(3-{3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}oxiran-2-yl)-5,6-dihydro-1H-pyridin-2-ol
(2S)-2-(dihydroxyamino)-7-(methylsulfanyl)heptanoic acid
2-Amino-6-[1-hydroxyethyl]-7-methyl-7,8-dihydropterin
C9H13N5O2 (223.10691980000001)
(2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide
Eldepryl
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D020011 - Protective Agents
Nonylsulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a nonyl group.
7-Methyloctyl sulfate
An organosulfate oxoanion that is the conjugate base of 7-methyloctyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(7-Methyloctyl)sulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (7-methyloctyl) group.
2,6-Dimethylheptyl sulfate
An organosulfate oxoanion that is the conjugate base of 2,6-dimethylheptyl hydrogen sulfate.
(2R)-2,6-dimethylheptyl sulfate
The (R)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex.
2-[2-(9H-purin-6-ylamino)ethoxy]ethanol
C9H13N5O2 (223.10691980000001)
(2S)-2,6-dimethylheptyl sulfate
The (S)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex.
(2R)-3-(4-hydroxyphenyl)-2-(trimethylazaniumyl)propanoate
L-O,2,3-trimethyltyrosine
A non-proteinogenic L-alpha-amino acid that is L-tyrosine in which the hydrogens at positions 2 and 3 as well as the phenolic hydrogen are replaced by methyl groups.
[N,N-bis(2-aminoethyl)propane-1,3-diamine]copper(2+)
NEOSTIGMINE
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics > N07AA - Anticholinesterases D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
2-amino-6-(1-hydroxyethyl)-7-methyl-7,8-dihydropteridin-4-one
C9H13N5O2 (223.10691980000001)
A dihydropterin that is 7,8-dihydropteridin-4-one substituted at positions 2, 6 and 7 by amino, 1-hydroxyethyl and methyl groups respectively.
[(1s)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
1-[(7s,7as)-7-hydroxy-5-[(1r)-1-hydroxyethyl]-2h,3h,7h,7ah-cyclopenta[b]pyridin-1-yl]ethanone
1-(4-hydroxy-2-imino-1,6,7,8-tetrahydropteridin-5-yl)propan-1-one
C9H13N5O2 (223.10691980000001)
(3s,4s)-4-ethenyl-3-ethoxy-1h,3h,4h,5h,6h-pyrano[3,4-c]pyridin-8-ol
3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecane-4,11-dione
6-amino-7,8-dihydro-2-hydroxypurine; 6-n-(3-methylbutyl)
{"Ingredient_id": "HBIN012216","Ingredient_name": "6-amino-7,8-dihydro-2-hydroxypurine; 6-n-(3-methylbutyl)","Alias": "NA","Ingredient_formula": "C10H17N5O","Ingredient_Smile": "NA","Ingredient_weight": "223.27","OB_score": "NA","CAS_id": "188542-24-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7582","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,4r,4as)-4-ethenyl-3-ethoxy-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyridin-8-ol
n-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
C11H17N3O2 (223.13207020000002)
1-[(7s,7as)-7-hydroxy-5-[(1s)-1-hydroxyethyl]-2h,3h,7h,7ah-cyclopenta[b]pyridin-1-yl]ethanone
(2r,3s)-3-[(4e,7e)-nona-4,7-dienoyl]oxirane-2-carboximidic acid
3-[4-hydroxy-6-(2-methylpropyl)pyrimidin-2-yl]propanimidic acid
C11H17N3O2 (223.13207020000002)
(1s,2r,3s,6r)-3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecane-4,11-dione
4-ethenyl-3-ethoxy-1h,3h,4h,5h,6h-pyrano[3,4-c]pyridin-8-ol
3-[5-(2-methylpropyl)-3-oxo-4h-pyrazin-2-yl]propanimidic acid
C11H17N3O2 (223.13207020000002)
(2r,3r,4r)-2-[(4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
7-hydroxy-3-(hydroxymethyl)-5,5,7-trimethyl-6h-indolizin-8-one
1-[7-hydroxy-5-(1-hydroxyethyl)-2h,3h,7h,7ah-cyclopenta[b]pyridin-1-yl]ethanone
2-{[(2e,4z)-1-hydroxy-7-methylocta-2,4-dien-1-ylidene]amino}prop-2-enoic acid
(5s,7r,7ar)-3-imino-5-(2-methylprop-1-en-1-yl)-hexahydropyrrolo[1,2-c]imidazole-7-carboxylic acid
C11H17N3O2 (223.13207020000002)