Exact Mass: 229.108079
Exact Mass Matches: 229.108079
Found 500 metabolites which its exact mass value is equals to given mass value 229.108079,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Terbuthylazine
C9H16ClN5 (229.10941660000003)
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
C9H16ClN5 (229.10941660000003)
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
gamma-Fagarine
Gamma-Fagarine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle. gamma-Fagarine is a natural product found in Haplophyllum bucharicum, Haplophyllum griffithianum, and other organisms with data available. gamma-Fagarine is found in fruits. gamma-Fagarine is an alkaloid from Aegle marmelos (bael fruit
Chlortriazine
C9H16ClN5 (229.10941660000003)
N-Hydroxy-meIQX
C11H11N5O (229.09635559999998)
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].
Pteleine
Pteleine is found in herbs and spices. Pteleine is an alkaloid tentatively identified in cells of Ruta graveolens (rue) grown in continuous light in liq. medium. Alkaloid tentatively identified in cells of Ruta graveolens (rue) grown in continuous light in liq. medium. Pteleine 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]
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.
Endalin
Endalin belongs to the family of Pyrimidine Nucleosides and Analogues. These are compounds comprising a pyrimidine base attached to a sugar. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D004791 - Enzyme Inhibitors
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].
(E)-3-(2-(1H-Tetrazol-5-YL)vinyl)-6-fluoro-1H-indole
2,4-Bis(2-methoxyethoxy)-1,3,5-triazine
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
Benzo[c]phenanthridine
4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
C10H10F3N3 (229.08267759999998)
Lipoxygenase, also known as bw-755c, is a member of the class of compounds known as trifluoromethylbenzenes. Trifluoromethylbenzenes are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. Lipoxygenase is practically insoluble (in water) and a very strong basic compound (based on its pKa). Lipoxygenase can be found in soy bean, which makes lipoxygenase a potential biomarker for the consumption of this food product. Lipoxygenases (EC 1.13.11.-) are a family of (non-heme), iron-containing enzymes most of which catalyze the dioxygenation of polyunsaturated fatty acids in lipids containing a cis,cis-1,4- pentadiene into cell signaling agents that serve diverse roles as autocrine signals that regulate the function of their parent cells, paracrine signals that regulate the function of nearby cells, and endocrine signals that regulate the function of distant cells . D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents BW 755C is a 5-lipoxygenase (5-LO) inhibitor with an IC50 of 5 μM. BW 755C also inhibits cyclooxygenase (COX) with IC50s of 0.65 and 1.2 μg/mL against COX-1 and COX-2, respectively[1][2].
2-(Fluoromethyl)-3-(3,4-dihydroxyphenyl)alanine
Sanazole
C7H11N5O4 (229.08110059999998)
5-(4-Acetamidophenyl)pyrazin-2(1H)-one
D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
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.
5-[(hydroxy)(phenyl)methyl]pyridine-2-carboxylic acid
Sebuthylazine
C9H16ClN5 (229.10941660000003)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 670
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
(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
7,8-dimethoxy-furo[2,3-b]quinoline|7,8-Dimethoxyfuro(2,3-b)chinolin|Skimmianine
Tensidol A
A furopyrrole that is 6-benzyl-6H-furo[2,3-b]pyrrole which is substituted by hydroxy groups at positions 3 and 4, and in which the hydrogen attached to the nitrogen is replaced by a benzyl group.
Bruceolline H
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by a hydroxy group at position 6, geminal-methyl groups at position 3 and oxo groups at positions 1 and 2. It has been isolated from the ethanol extract of the stems of Brucea mollis.
CAERULOMYCINAMIDE
A pyridine alkaloid that is 2,2-bipyridine substituted by a methoxy group at position 4 and an aminocarbonyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
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
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
Carbonarone A
A monocarboxylic acid amide that is 4H-pyran-3-carboxamide substituted by an oxo group at position 4 and a benzyl group at position 6. It has been isolated from Aspergillus niger and Aspergillus carbonarius.
2-amino-5-indol-3-ylmethyl-oxazol-4-one|Antibiotic 927A|C-Desmethyl-N-demethyl-indolmycin|N-Demethyl-C-demethyl-indolmycin
(S)-2-(1-(2-Aminoacetyl)pyrrolidine-2-carboxamido)acetic acid
Evolitrin
Evolitrine is a natural product found in Boronia pancheri, Drummondita calida, and other organisms with data available. Evolitrine (7-Methoxydictamnine; Evolitrin) is isolated from Acronychia pedunculata and show anti-inflammatory and antifeedant activities[1]. Evolitrine (7-Methoxydictamnine; Evolitrin) is isolated from Acronychia pedunculata and show anti-inflammatory and antifeedant activities[1].
Terbutylazine
C9H16ClN5 (229.10941660000003)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 284 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(5R)-2-amino-5-(1H-indol-3-ylmethyl)-1,3-oxazol-4-one
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].
8-Methoxy-9-methylfuro[2,3-b]quinolin-4(9H)-one
Origin: Plant; Formula(Parent): C13H11NO3; Bottle Name:Iso-gamma-fagarine; PRIME Parent Name:Iso-gamma-fagarine; PRIME in-house No.:V0305; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids PRIME in-house No.:V0305; Origin: Plant; Formula(Parent): C13H11NO3; Bottle Name:Iso-gamma-fagarine; PRIME Parent Name:Iso-gamma-fagarine; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
fenamisal
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Asn-pro
A dipeptide composed of L-asparagine and L-proline joined by a peptide linkage.
Pro-asn
A dipeptide formed from L-proline and L-asparagine residues.
Endalin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D004791 - Enzyme Inhibitors
dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate
C10H15NO5 (229.09501799999998)
[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]-ACETIC ACID
6-methyl-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid
(1H-INDOL-6-YL)(PIPERAZIN-1-YL)METHANONE
C13H15N3O (229.12150599999998)
2-PHENYL-5-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOLE
C13H15N3O (229.12150599999998)
1H-indol-2-yl(piperazin-1-yl)methanone
C13H15N3O (229.12150599999998)
N-ethyl-1-(4-methoxyphenyl)propan-2-amine,hydrochloride
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
C10H10F3N3 (229.08267759999998)
(4S)-N-(tert-Butyldimethylsilyl)azetidin-2-one-4-carboxylic acid
3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
1-(4-Methoxy-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Phosphonicacid, P-(4-aminophenyl)-, diethyl ester
C10H16NO3P (229.08677559999998)
Sodium 2-(cyclohexylamino)ethanesulphonate
1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLICACID
C10H15NO5 (229.09501799999998)
4-(2-methylpropoxy)pyridine-2-carboximidamide,hydrochloride
C10H16ClN3O (229.09818359999997)
4-butoxypyridine-2-carboximidamide,hydrochloride
C10H16ClN3O (229.09818359999997)
4-(1-Phenyl-ethyl)-1H-pyrrole-3-carboxylic acid Methyl ester
4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboximidamide,hydrochloride
C10H16ClN3O (229.09818359999997)
(S)-(-)-2-HYDROXY-3,3-DIMETHYLBUTYRICACID
C10H15NO5 (229.09501799999998)
2-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)PHENOL
C13H15N3O (229.12150599999998)
(R)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride
4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine
C11H11N5O (229.09635559999998)
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].
(2-Aminomethyl-benzyl)-phosphonic acid dimethyl ester
C10H16NO3P (229.08677559999998)
3-AMINO-3-(4-METHYL-NAPHTHALEN-1-YL)-PROPIONIC ACID
4-(diethylamino)quinazoline-6-carbaldehyde
C13H15N3O (229.12150599999998)
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
(r)-3-amino-4-(2-methylphenyl)butanoic acid hydrochloride
(s)-3-amino-4-(3-methylphenyl)butanoic acid hydrochloride
(r)-3-amino-4-(4-methylphenyl)butanoic acid hydrochloride
2,5-DIMETHYL-4-METHYLCARBAMOYL-1-PHENYLIMIDAZOLE
C13H15N3O (229.12150599999998)
6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
METHYL 2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE
N-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
C13H15N3O (229.12150599999998)
tert-butyl 4-formyl-4-hydroxypiperidine-1-carboxylate
N-BOC-BELTA-ALANINE-BELTA-METHYL-N-CARBOXYANHYDRIDE
C10H15NO5 (229.09501799999998)
(3-Aminomethyl-benzyl)-phosphonic acid dimethyl ester
C10H16NO3P (229.08677559999998)
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
tert-butyl N-(3,4-difluorophenyl)carbamate
C11H13F2NO2 (229.09143020000002)
Diethyl 4-oxopyrrolidine-1,3-dicarboxylate
C10H15NO5 (229.09501799999998)
N-methyl-1-[4-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
C13H15N3O (229.12150599999998)
N-BOC-BELTA-ALANINE-ALPHA-METHYL-N-CARBOXYANHYDRIDE
C10H15NO5 (229.09501799999998)
(2S)-1-(TERT-BUTOXYCARBONYL)-5-METHYLPYRROLIDINE-2-CARBOXYLIC ACID
3-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acid
5-(hydroxymethyl)-1-(2-phenylethyl)pyrrole-2-carbaldehyde
(R)-[3,4-(METHYLENEDIOXY)PHENYL]-1-BUTYLAMINE HYDROCHLORIDE
(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride
3-Oxo-3-(4-phenyl-1-piperazinyl)propanenitrile
C13H15N3O (229.12150599999998)
(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
C13H15N3O (229.12150599999998)
2,6-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
6-chloro-1-(2,2-dimethylpropyl)-2H-pyridine-3-carboxylic acid
(s)-(-)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine
2-[(6-METHYL-2-PHENYL-4-PYRIMIDINYL)AMINO]-ETHANOL
C13H15N3O (229.12150599999998)
2-Isocyanatopentanedioic acid diethyl ester
C10H15NO5 (229.09501799999998)
(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
(4-FORMYL-PHENYL)-CARBAMICACIDTERT-BUTYLESTER
C13H15N3O (229.12150599999998)
1-[3-AMINO-4-(4-METHYL-4H-PYRAZIN-1-YL)-PHENYL]-ETHANONE
C13H15N3O (229.12150599999998)
(R)-2-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)acetic acid
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
C10H17BClNO2 (229.10408020000003)
Boc-L-Cyclobutylglycine
Boc-L-cyclobutylglycine is a glycine derivative that can be used for PI3K inhibitor synthesis[1].
N,N-dimethyl 1-benzyl-1H-imidazole-5-carboxamide
C13H15N3O (229.12150599999998)
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
1-(tert-Butoxycarbonyl)-5-oxo-L-proline
C10H15NO5 (229.09501799999998)
5-(2-Aminoethyl)-8-hydroxy-4-oxo-1,4-dihydro-3-quinolinecarbonitr ile
BENZYL 2-AZABICYCLO[2.2.1]HEPT-5-ENE-2-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
(S)-3-amino-3-(o-tolyl)propanoic acid hydrochloride
2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOHYDRAZIDE
C13H15N3O (229.12150599999998)
4-(1H-PYRROLO[2,3-B]PYRIDIN-3-YLCARBONYL)PIPERIDINE
C13H15N3O (229.12150599999998)
Ethyl 5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylate
(S)-2-Benzyl-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole
C13H15N3O (229.12150599999998)
6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one
C13H15N3O (229.12150599999998)
methyl-2-(tert-butoxycarbonylamino)-2-cyclopropylacetate
Ethyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
2-AMINO-1-(4-METHOXY-PHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE
3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine
C13H15N3O (229.12150599999998)
(1R,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
(2-Hydroxyethyl)trimethylammonium dimethylphosphate
Ethanone, 2-chloro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- (9CI)
(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-(4-Fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine
Ethanone,2-amino-1-(4-methyl-1-piperazinyl)-, hydrochloride (1:2)
4-ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate
C10H15NO5 (229.09501799999998)
ETHYL 2-(4-(AMINOMETHYL)PHENYL)ACETATE HYDROCHLORIDE
2-AMINO-5-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL HYDROCHLORIDE
(2S,5S)-N-BOC-5-METHYLPYRROLIDINE-2-CARBOXYLICACID
(1H-INDOL-3-YL)(PIPERAZIN-1-YL) METHANONE
C13H15N3O (229.12150599999998)
4-(5-Fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine
6-[[(2Z)-3-carboxy-1-oxo-2-propenyl]amino]hexanoic acid
C10H15NO5 (229.09501799999998)
tert-Butyl 3,3,3-trifluoro-2-hydroxypropylcarbamate
C8H14F3NO3 (229.09257300000002)
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
C13H15N3O (229.12150599999998)
(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
ALPHA-METHYL-DL-PHENYLALANINE METHYL ESTER HYDROCHLORIDE
(r)-3-amino-4-(3-methylphenyl)butanoic acid hydrochloride
(s)-3-amino-4-(2-methylphenyl)butanoic acid hydrochloride
(s)-3-amino-4-(4-methylphenyl)butanoic acid hydrochloride
N-((2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)METHYL)ETHANAMINE HYDROCHLORIDE
4-O-tert-butyl 2-O-methyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
8-(2-CHLORO-ETHYL)-8-AZA-SPIRO[4,5]DECANE-7,9-DIONE
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
[4-(benzyloxy)tetrahydrofuran-3-yl]amine hydrochloride
1-PHENYL-3-(PYRROLIDIN-1-YL)-1H-PYRAZOL-5(4H)-ONE
C13H15N3O (229.12150599999998)
3-(Isopropylamino)azetidine-3-carboxamide dihydrochloride
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
3-(4-DIMETHYLAMINOPHENYL)PROPIONIC ACID HYDROCHLORIDE
ethyl 2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylate
2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridin
1-Piperidinecarbothioamide,4-(4-morpholinyl)-
C10H19N3OS (229.12487639999998)
N-(2,4-Dichlorophenyl)ethanesulfonamide
C11H13F2NO2 (229.09143020000002)
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
2-(4-fluorophenyl)-1-(6-methylpyridin-2-yl)ethanone
DIETHYL (4-PYRIDINEMETHYL) PHOSPHONATE
C10H16NO3P (229.08677559999998)
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
(5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
2-Amino-2-(3,4-dihydroxybenzyl)-3-fluoropropionic acid
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].
N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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.
1(2H)-Pyrimidinecarboxamide, N-butyl-5-fluoro-3,4-dihydro-2,4-dioxo-
2-(Pyrido[1,2-e]purin-4-yl)amino-ethanol
C11H11N5O (229.09635559999998)
Anaprox
C14H13O3- (229.08646480000002)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
8-(Carboxylatomethylamino)-8-oxooctanoate
C10H15NO5-2 (229.09501799999998)
L-(+)-ERGOTHIONEINE
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
C13H15N3O (229.12150599999998)
(R)-crotonylcarnitine
A O-butenoyl-L-carnitine in which the acyl group is specified as crotonyl.
[6-Methoxy-2,3,4,9-tetrahydro-carbazol-(1E)-ylidene]-hydrazine
C13H15N3O (229.12150599999998)
(5R)-2-Amino-5-(1H-indol-3-ylmethyl)-1,3-oxazol-4-one
(2S)-2-(dimethylazaniumyl)-3-(1-methyl-4-sulfanyl-1H-imidazol-5-yl)propanoate
[1-(4-Fluorophenyl)-5-amino-4-imidazolyl](imino)acetonitrile
N-[(E)-1-Pyridin-3-ylethylideneamino]furan-2-carboxamide
5-[(2S)-2-carboxy-2-(trimethylazaniumyl)ethyl]-1H-imidazole-2-thiolate
2-Hydroxymethyl-1-methyl-5-nitroimidazole, TMS derivative
C8H15N3O3Si (229.08826399999998)
Terbuthylazine
C9H16ClN5 (229.10941660000003)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
propazine
C9H16ClN5 (229.10941660000003)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(Z)-4-methoxy-2,2-bipyridine-6-carbaldehyde oxime
A pyridine alkaloid that is 2,2-bipyridine substituted by a methoxy group at position 4 and a (Z)-(hydroxyimino)methyl group at position 6. It has been isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus.
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.
caerulomycin A
A pyridine alkaloid that is 2,2-bipyridine substituted by a methoxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
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
C10H15NO5 (229.09501799999998)