Exact Mass: 229.1274
Exact Mass Matches: 229.1274
Found 500 metabolites which its exact mass value is equals to given mass value 229.1274,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Terbuthylazine
CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9075; ORIGINAL_PRECURSOR_SCAN_NO 9073 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9016; ORIGINAL_PRECURSOR_SCAN_NO 9014 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9020; ORIGINAL_PRECURSOR_SCAN_NO 9018 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9092; ORIGINAL_PRECURSOR_SCAN_NO 9087 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9043; ORIGINAL_PRECURSOR_SCAN_NO 9041 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9038; ORIGINAL_PRECURSOR_SCAN_NO 9037 CONFIDENCE standard compound; INTERNAL_ID 3676 CONFIDENCE standard compound; INTERNAL_ID 8413 CONFIDENCE standard compound; INTERNAL_ID 4032 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Propazine
CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8960; ORIGINAL_PRECURSOR_SCAN_NO 8958 INTERNAL_ID 842; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8960; ORIGINAL_PRECURSOR_SCAN_NO 8958 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9098; ORIGINAL_PRECURSOR_SCAN_NO 9096 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8922 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8943; ORIGINAL_PRECURSOR_SCAN_NO 8941 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9124; ORIGINAL_PRECURSOR_SCAN_NO 9123 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8882; ORIGINAL_PRECURSOR_SCAN_NO 8880 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2741 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
benz(a)acridine
CONFIDENCE standard compound; INTERNAL_ID 8030 CONFIDENCE standard compound; INTERNAL_ID 10
Benz[c]acridine
CONFIDENCE standard compound; INTERNAL_ID 8306 CONFIDENCE standard compound; INTERNAL_ID 8119
Pronetalol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist Pronethalol ((±)-Pronethalo) is a non-selective β-adrenergic antagonist. Pronethalol is a potent inhibitor of Sox2 expression. Pronethalol protects against and to reverse Digitalis-induced ventricular arrhythmias and limits the cerebral arteriovenous malformation (AVMs)[1][2].
N-Hydroxy-meIQX
An imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by a hydroxyamino group. The active metabolite of the dietary carcinogen MeIQx.
Ergothioneine
Ergothioneine is a naturally occurring metabolite of histidine that has antioxidant properties. -- Pubchem. Ergothioneine is a product of plant origin that accumulates in animal tissues. Ergothioneine is biosynthesized exclusively by fungi and mycobacteria and is captured by plants through their roots. As an ingredient of human food, ET is distributed very unevenly. By far, the highest levels of Ergothioneine have been found in mushrooms (0.1-1 mg/g dried material). Ergothioneine is rapidly cleared from the circulation and then avidly retained with minimal metabolism: the whole-body half-life of ingested Ergothioneine in rats is 1 month. The content of Ergothioneine varies greatly among tissues and is strongly dependent on its dietary level. In addition to erythrocytes and bone marrow, high Ergothioneine levels have also been found in seminal fluid. The precise physiological role of ET has remained elusive since its discovery in 1909. It is known that Ergothioneine is a powerful scavenger of hydroxyl radicals and an inhibitor of iron or copper ion-dependent generation of hydroxyl radicals from hydrogen peroxide (H2O2). A specific ergothioneine transporter has recently been identified (gene symbol SLC22A4 - PMID: 15795384). Ergothioneine appears to play a pivotal protective role in monocytes, because the occurrence of rheumatoid arthritis and Crohns disease has very recently been linked to variant ergothioneine transporter genes (PMID: 15795384). SLC22A4 is highly expressed in the kidney, where it is thought to aid in active secretion of organic cations, and may facilitate the active reabsorption of ergothioneine. A naturally occurring metabolite of histidine that has antioxidant properties. -- Pubchem. Ergothioneine is a product of plant origin that accumulates in animal tissues. Ergothioneine is biosynthesized exclusively by fungi and mycobacteria and is captured by plants through their roots. As an ingredient of human food, ET is distributed very unevenly. By far, the highest levels of Ergothioneine have been found in mushrooms (0.1-1 mg/g dried material). Ergothioneine is rapidly cleared from the circulation and then avidly retained with minimal metabolism: the whole-body half-life of ingested Ergothioneine in rats is 1 month. The content of Ergothioneine varies greatly among tissues and is strongly dependent on its dietary level. In addition to erythrocytes and bone marrow, high Ergothioneine levels have also been found in seminal fluid. The precise physiological role of ET has remained elusive since its discovery in 1909. It is known that Ergothioneine is a powerful scavenger of hydroxyl radicals and an inhibitor of iron or copper ion-dependent generation of hydroxyl radicals from hydrogen peroxide (H2O2). A specific ergothioneine transporter has recently been identified (gene symbol SLC22A4 - PMID: 15795384). Ergothioneine appears to play a pivotal protective role in monocytes, because the occurrence of rheumatoid arthritis and Crohns disease has very recently been linked to variant ergothioneine transporter genes (PMID: 15795384). SLC22A4 is highly expressed in the kidney, where it is thought to aid in active secretion of organic cations, and may facilitate the active reabsorption of ergothioneine. D020011 - Protective Agents > D000975 - Antioxidants Ergothioneine is an imidazole-2-thione derivative with orally active histidine betaine. Ergothioneine is a specific inhibitor of p38-MAPK and Akt, which plays a protective role in cell apoptosis induced by stress. Ergothioneine has antioxidant activity[1][2]. Ergothioneine, an imidazole-2-thione derivative of histidine betaine, is synthesized by certain bacteria and fungi. Ergothioneine is generally considered an antioxidant[1].
2,4-Undecadiene-8,10-diynoic acid isobutylamide
2,4-Undecadiene-8,10-diynoic acid isobutylamide is found in herbs and spices. 2,4-Undecadiene-8,10-diynoic acid isobutylamide is isolated from Achillea millefolium (yarrow). Isolated from Achillea millefolium (yarrow). 2,4-Undecadiene-8,10-diynoic acid isobutylamide is found in herbs and spices.
Neopellitorine A
Neopellitorine A is found in herbs and spices. Neopellitorine A is an alkaloid from Artemisia dracunculus (tarragon). Alkaloid from Artemisia dracunculus (tarragon). Neopellitorine A is found in herbs and spices.
2,4,6,8-Decatetraenoic acid dehydropiperidide
2,4,6,8-Decatetraenoic acid dehydropiperidide is found in herbs and spices. 2,4,6,8-Decatetraenoic acid dehydropiperidide is an alkaloid from Achillea millefolium (yarrow). Alkaloid from Achillea millefolium (yarrow). 2,4,6,8-Decatetraenoic acid dehydropiperidide is found in herbs and spices.
Prolyl-Asparagine
Prolyl-Asparagine is a dipeptide composed of proline and asparagine. 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.
Butenylcarnitine
Butenylcarnitine is an acylcarnitine. More specifically, it is an butenoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Butenylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine Butenylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular Butenylcarnitine is elevated in the blood or plasma of individuals with maternal obesity/prepregnant obesity of mothers (PMID: 31975597). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
N-Decanoylglycine
N-Decanoylglycine is an acylglycine with C-10 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine. N-Decanoylglycine is an acylglycine with C-10 fatty acid group as the acyl moiety.
Asparaginyl-Proline
Asparaginyl-Proline is a dipeptide composed of asparagine and proline. 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.
3-Butenylcarnitine
3-Butenylcarnitine is an acylcarnitine. More specifically, it is an but-3-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Butenylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-Butenylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular 3-Butenylcarnitine is elevated in the blood or plasma of individuals with maternal obesity/prepregnant obesity of mothers (PMID: 31975597). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2,4-Bis(2-methoxyethoxy)-1,3,5-triazine
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
Benzo[c]phenanthridine
(E)-6-Methyl-1-(2-methyl-1-oxo-2-butenyl)-1,2,3,4-tetrahydroquinoline
Orgothionenine
Orgothionenine belongs to histidine and derivatives class of compounds. Those are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Orgothionenine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Orgothionenine can be found in oat, which makes orgothionenine a potential biomarker for the consumption of this food product.
1-methyl-2-pentylquinolin-4-one
1-Methyl-2-pentyl-4(1H)-quinolinone, a quinolone alkaloid isolated from the fruits of Evodia Rutaecarpa, possesses antibacterial and cytotoxic activities for cancer cells[1].
Methfuroxam
CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8765; ORIGINAL_PRECURSOR_SCAN_NO 8763 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8757 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8772; ORIGINAL_PRECURSOR_SCAN_NO 8770 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8796; ORIGINAL_PRECURSOR_SCAN_NO 8794 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8823; ORIGINAL_PRECURSOR_SCAN_NO 8821 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8803; ORIGINAL_PRECURSOR_SCAN_NO 8801
Icaridin
CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8791; ORIGINAL_PRECURSOR_SCAN_NO 8789 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8820; ORIGINAL_PRECURSOR_SCAN_NO 8819 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8831; ORIGINAL_PRECURSOR_SCAN_NO 8829 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8867; ORIGINAL_PRECURSOR_SCAN_NO 8865 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8876 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8886; ORIGINAL_PRECURSOR_SCAN_NO 8885 CONFIDENCE standard compound; INTERNAL_ID 2872 CONFIDENCE standard compound; INTERNAL_ID 8825 CONFIDENCE standard compound; INTERNAL_ID 8229 CONFIDENCE standard compound; INTERNAL_ID 4207
2,8-Decadiene-4,6-diynoic acid-2-Methypropylamide, N-Me
4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenol
(3Z)-6-methoxy-3-(3-methylbut-2-en-1-ylidene)-1,3-dihydro-2H-indol-2-one|E-3-(3-methyl-2-butenylidene)-6-methoxy-2-indolinone|soulieotine
2-(1-Ethylpropyl)-4-methoxyquinoline, 9CI|4-methoxy-2-(3-pentyl)quinoline
6-oxo-hexa-2E,4E-dien-1-oic acid-N-phenylethylamide
2,3,3-trimethyl-2,3,4,5-tetrahydrofurano<3,2-c>quinolin-4-one|2,3,3-trimethyl-2,3,4,5-tetrahydrofurano[3,2-c]quinolin-4-one|N-Demethyloligophyline
(+/-)-threo-N-isobutyl-4,5-dihydroxy-2E-octaenamide|(??)-threo-N-Isobutyl-4,5-dihydroxy-2E-octaenamide
1r-Aethoxycarbonyl-2t-aethyl-1t-cyan-2c-phenyl-aethylen|2-Cyan-3-phenyl-pent-2t-ensaeure-aethylester|2-cyano-3-phenyl-pent-2t-enoic acid ethyl ester|2t-Cyan-3c-phenyl-pent-2-ensaeure-aethylester|beta-Aethyl-alpha-cyan-cis-zimtsaeure-aethylester|ethyl 2-cyano-3-phenylpent-2-enoate|Ethyl-1-phenylpropylidencyanoacetat
(S)-2-(1-(2-Aminoacetyl)pyrrolidine-2-carboxamido)acetic acid
Terbutylazine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 284 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Ergothioneine
A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a mercapto group. A naturally occurring metabolite of histidine synthesized by bacteria and fungi with antioxidant properties. It is found ubiquitously in plants and animals and is present in many human foodstuffs. D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 60 Ergothioneine is an imidazole-2-thione derivative with orally active histidine betaine. Ergothioneine is a specific inhibitor of p38-MAPK and Akt, which plays a protective role in cell apoptosis induced by stress. Ergothioneine has antioxidant activity[1][2]. Ergothioneine, an imidazole-2-thione derivative of histidine betaine, is synthesized by certain bacteria and fungi. Ergothioneine is generally considered an antioxidant[1].
2,4,6,8-Decatetraenoic acid dehydropiperidide
2,4-Undecadiene-8,10-diynoic acid isobutylamide
dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate
[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]-ACETIC ACID
6-methyl-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid
(S)-tert-Butyl 2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
N-ethyl-1-(4-methoxyphenyl)propan-2-amine,hydrochloride
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
(4S)-N-(tert-Butyldimethylsilyl)azetidin-2-one-4-carboxylic acid
3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
(S)-5-(((tert-Butyldimethylsilyl)oxy)methyl)pyrrolidin-2-one
5-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)PYRROLIDIN-2-ONE
1-(4-Methoxy-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
2-HYDRAZINOCARBONYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLICACID
4-(2-methylpropoxy)pyridine-2-carboximidamide,hydrochloride
4-(1-Phenyl-ethyl)-1H-pyrrole-3-carboxylic acid Methyl ester
4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboximidamide,hydrochloride
(R)-TERT-BUTYL 3-CARBAMOYLPIPERAZINE-1-CARBOXYLATE
(S)-TERT-BUTYL 3-CARBAMOYLPIPERAZINE-1-CARBOXYLATE
1-(3-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLICACIDMETHYLESTER
(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)BORONIC ACID
2-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)PHENOL
4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine
7-Desmethylagomelatine
7-Desmethyl-agomelatine is a metabolite of Agomelatine. Agomelatineis a potent agonist at melatonin receptors (MT1 and MT2), and also is an antagonist of 5-HT2C[1][2].
3-AMINO-3-(4-METHYL-NAPHTHALEN-1-YL)-PROPIONIC ACID
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
METHYL 2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE
(S)-2-(1-Hydroxy-1-methylethyl)-pyrrolidine-1-carboxylicacidtert-butylester
N-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
1-(4-CHLORO-1,2,5-THIADIAZOL-3-YL)-4-METHYLPIPERAZINE
tert-butyl 4-formyl-4-hydroxypiperidine-1-carboxylate
N-BOC-BELTA-ALANINE-BELTA-METHYL-N-CARBOXYANHYDRIDE
1H-Benzimidazole,1-methyl-2-(1-piperidinylmethyl)-(9CI)
tert-butyl-dimethyl-(1,3-thiazol-2-ylmethoxy)silane
Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
(R)-TERT-BUTYL 2-(2-OXOETHYL)MORPHOLINE-4-CARBOXYLATE
7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decane-2-methanol
N-methyl-1-[4-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
N-BOC-BELTA-ALANINE-ALPHA-METHYL-N-CARBOXYANHYDRIDE
(2S)-1-(TERT-BUTOXYCARBONYL)-5-METHYLPYRROLIDINE-2-CARBOXYLIC ACID
3-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acid
5-(hydroxymethyl)-1-(2-phenylethyl)pyrrole-2-carbaldehyde
3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile
(R)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-METHYLPENT-4-ENOIC ACID
2-(1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-2-YL)ACETIC ACID
(S)-3-(FMOC-AMINO)-5-METHYLHEXANOIC ACID, FMOC-L-SS-HOMOLEUCINE
2,6-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
(s)-(-)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine
2-[(6-METHYL-2-PHENYL-4-PYRIMIDINYL)AMINO]-ETHANOL
(1S,2R)-Boc-2-amino-1-cyclopentane carboxylic acid
cis-2-(tert-Butoxycarbonylamino)-1-cyclopentanecarboxylic acid
(1R,3S)-N-Boc-1-Aminocyclopentane-3-carboxylic acid
tert-butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
tert-butyl 4-(methoxymethyl)piperidine-1-carboxylate
(trans-4-Hydroxymethylcyclohexyl)carbamic acid tert-butyl ester
tert-Butyl cis-(3-hydroxymethyl)-cyclohexylcarbamate
tert-butyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
1-[3-AMINO-4-(4-METHYL-4H-PYRAZIN-1-YL)-PHENYL]-ETHANONE
(R)-2-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)acetic acid
carbamicacid,(4-hydroxy-1-methylcyclohexyl)-,1,1-dimethylethylester
2-CHLORO-N-(2,3,3-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL)-ACETAMIDE
(4-(1-Amino-2-methylpropan-2-yl)phenyl)boronic acid hydrochloride
Boc-L-Cyclobutylglycine
Boc-L-cyclobutylglycine is a glycine derivative that can be used for PI3K inhibitor synthesis[1].
4-ethoxy-2-methyl-5-propan-2-ylaniline,hydrochloride
PYRROLIDINE-1,2-DICARBOXYLICACID1-TERT-BUTYLESTER2-METHYLESTER
(S)-1-BOC-PYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER
(S)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
(R)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
(2S,5R)-N-BOC-5-METHYLPYRROLIDINE-2-CARBOXYLICACID
BENZYL 2-AZABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLATE
tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
Methyl cis-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclobuta necarboxylate
4-[(1-methyl-4(1h)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one hydrate
1-BENZYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
4-(1H-PYRROLO[2,3-B]PYRIDIN-3-YLCARBONYL)PIPERIDINE
Ethyl 5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylate
6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one
methyl-2-(tert-butoxycarbonylamino)-2-cyclopropylacetate
Ethyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
(R)-5-(((tert-Butyldimethylsilyl)oxy)methyl)pyrrolidin-2-one
(1R,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
(2-Hydroxyethyl)trimethylammonium dimethylphosphate
(1S,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
(1R,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
2-TERT-BUTOXYCARBONYLAMINO-CYCLOPENTANECARBOXYLIC ACID
TERT-BUTYL 4-FORMYL-2,2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE
3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
4-ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate
(2S,5S)-N-BOC-5-METHYLPYRROLIDINE-2-CARBOXYLICACID
3-tert-Butyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
6-[[(2Z)-3-carboxy-1-oxo-2-propenyl]amino]hexanoic acid
tert-Butyl 3,3,3-trifluoro-2-hydroxypropylcarbamate
2-imidazol-1-yl-4-methyl-6-pyrrolidin-2-ylpyrimidine
ethyl 1-((tert-butoxycarbonyl)amino)cyclopropanecarboxylate
3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
(2R)-1-(tert-butyldimethylsilyl)-4-oxoazetidine-2-carboxylic acid
(S)-TERT-BUTYL 2-(2-OXOETHYL)MORPHOLINE-4-CARBOXYLATE
2,7-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
Pyrrolidine, 1-[3-(4-ethylphenyl)-1-oxo-2-propenyl]- (9CI)
4-O-tert-butyl 2-O-methyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
tert-Butyl 2-(N-hydroxycarbamimidoyl)pyrrolidine-1-carboxylate
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL ISOCYANATE
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
[4-(1H-benzimidazol-2-yl)cyclohexyl]methylamine dihydrochloride
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
ethyl 2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylate
5,5,7,7-Tetramethyl-1,5,6,7-tetrahydrocyclopenta[f]indazol-4-amine, TECH
2-(4-fluorophenyl)-1-(6-methylpyridin-2-yl)ethanone
3-Methoxy-4-oxo-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
3-(2-METHYL-1H-INDOL-3-YL)-ACRYLIC ACID ETHYL ESTER
Thyronamine
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(E)-6-Methyl-1-(2-methyl-1-oxo-2-butenyl)-1,2,3,4-tetrahydroquinoline
N-(4,6,7-trimethylquinazolin-2-yl)guanidine
A2B receptor antagonist 2 (compound 18) is an adenosine receptor A2B antagonist, with Ki values of 2.30 μM, 6.8 μM and 3.44 μM for rA1, rA2A and hA2B, respectively[1].
Ovothiol C
A L-histidine derivative that is N,N-dimethyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively.
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
L-(+)-ERGOTHIONEINE
[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-1-oxopropan-2-yl]-trimethylazanium
(R)-crotonylcarnitine
A O-butenoyl-L-carnitine in which the acyl group is specified as crotonyl.
6-Phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1-cyclopentane]
[6-Methoxy-2,3,4,9-tetrahydro-carbazol-(1E)-ylidene]-hydrazine
N-(4-methylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide
(2S)-2-(dimethylazaniumyl)-3-(1-methyl-4-sulfanyl-1H-imidazol-5-yl)propanoate
5-[(2S)-2-carboxy-2-(trimethylazaniumyl)ethyl]-1H-imidazole-2-thiolate
Cyclohexane, 1-acetamido-4-trimethylsilyloxy-, trans-
2-Hydroxymethyl-1-methyl-5-nitroimidazole, TMS derivative
Pronetalol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist Pronethalol ((±)-Pronethalo) is a non-selective β-adrenergic antagonist. Pronethalol is a potent inhibitor of Sox2 expression. Pronethalol protects against and to reverse Digitalis-induced ventricular arrhythmias and limits the cerebral arteriovenous malformation (AVMs)[1][2].
O-butenoylcarnitine
An O-acyl carnitine in which the acyl group specified is butenoyl.
O-butenoyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group specified is butenoyl in which the position of the double bond is unspecified.
ergothioneine thione form
A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a thioxo group.
ovothiol C zwitterion
An L-alpha-amino acid zwitterion formed from ovothiol C by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one
(2e,4e)-6-oxo-n-(2-phenylethyl)hexa-2,4-dienimidic acid
(2e,4e)-n-(2-methylpropyl)undeca-2,4-dien-8,10-diynimidic acid
n-{4-[n-carbamimidoyl-(c-hydroxycarbonimidoyl)amino]butyl}-n-methylacetamide
(1r,2r,3r)-3-hydroxy-1,2-dimethyl-1,2,3,9-tetrahydrocarbazol-4-one
(2s,3s,4s)-4-chloro-2-[(3z,5e)-hepta-3,5-dien-1-yl]piperidin-3-ol
(2e,8e)-n-methyl-n-(2-methylpropyl)deca-2,8-dien-4,6-diynamide
7-(4-hydroxy-3-methylbut-2-en-1-yl)-1h-indole-3-carbaldehyde
(3e)-6-methoxy-3-(3-methylbut-2-en-1-ylidene)indol-2-ol
3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl propanoate
2-methyl-1-methylidene-4,9-dihydro-3h-carbazole-2,3-diol
atractylenolactam
{"Ingredient_id": "HBIN017282","Ingredient_name": "atractylenolactam","Alias": "NA","Ingredient_formula": "C15H19NO","Ingredient_Smile": "CC1=C2CC3C(=C)CCCC3(C=C2NC1=O)C","Ingredient_weight": "229.32","OB_score": "NA","CAS_id": "193757-67-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6502","PubChem_id": "101707484","DrugBank_id": "NA"}
