Exact Mass: 275.1182
Exact Mass Matches: 275.1182
Found 500 metabolites which its exact mass value is equals to given mass value 275.1182,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gamma-glutamylglutamine
N2-gamma-Glutamylglutamine, also known as gamma-L-Glu-L-Gln or L-gamma-glutamyl-L-glutamine, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N2-gamma-Glutamylglutamine is a very strong basic compound (based on its pKa). N2-gamma-Glutamylglutamine is a dipeptide obtained from the condensation of the gamma-carboxy group of glutamic acid with the alpha-amino group of glutamine. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. gamma-Glutamylglutamine has been identified in plasma and cerebrospinal fluid from hyperammonaemic patients. [HMDB] H-γ-Glu-Gln-OH is a hydrophilic peptide and can be conjugated to drugs. The carrier composed of H-γ-Glu-Gln-OH has the characteristics of high water solubility and drug-loading capacity, good biocompatibility, low toxicity, improved tumor targeting ability, and anti-tumor efficacy[1].
HOMATROPINE
S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics Annotation level-1
Cardiospermin
Sarmentosin
Sarmentosin is found in fruits. Sarmentosin is isolated from Ribes nigrum (blackcurrant
Dubinidine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
1,6-Anhydro-N-acetyl-beta-muramate
Elwesine
Elwesine is a natural organic compound belonging to the aporphine alkaloid class. It is found in certain plants and possesses a variety of biological activities, including antibacterial and anti-inflammatory effects. The chemical structure of elwesine features complex cyclic structures, including pyridine and imidazole rings, which contribute to its significance in medicinal and phytochemical research.
epsilon-(gamma-Glutamyl)lysine
In non-diabetic kidney scarring the protein crosslinking enzyme tissue transglutaminase (tTg) has been implicated in the process by the formation of increased epsilon-(gamma-glutamyl)lysine bonds between ECM components in both experimental and human disease. Changes in tTg and epsilon-(gamma-glutamyl)lysine occur in human Diabetic nephropathy as well, the leading cause of chronic kidney failure. (PMID 15292688). In Parkinsons disease (PD), conformational changes in the alpha-synuclein monomer precede the formation of Lewy bodies. Both tTG and its substrate-characteristic N(epsilon)-(gamma-glutamyl)-lysine crosslink are increased in PD nigral dopamine neurons. (PMID 15001552). Expression of tissue transglutaminase (tTgase) and epsilon-(gamma-glutamyl)-lysine was present in all scarring of the blebs sites, being the main cause of failure in glaucoma filtration surgery. Transglutaminases are calcium-dependent enzymes that catalyze the posttranslational modification of proteins through an acyl transfer reaction between the gamma-carboxamide group of a peptide-bound glutaminyl residue and various amines. Covalent cross-linking using epsilon-(gamma-glutamyl)-lysine bonds is stable and resistant to enzymatic, chemical, and mechanical disruption. (PMID: 16936095). In non-diabetic kidney scarring the protein crosslinking enzyme tissue transglutaminase (tTg) has been implicated in the process by the formation of increased epsilon-(gamma-glutamyl)lysine bonds between ECM components in both experimental and human disease. Changes in tTg and epsilon-(gamma-glutamyl)lysine occur in human Diabetic nephropathy as well, the leading cause of chronic kidney failure. (PMID 15292688)
Metronidazole Benzoate
A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole. C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C784 - Protein Synthesis Inhibitor
2-Acetamido-4-(D-alanylamino)-2,4,6-trideoxy-D-mannopyranose
4'-hydroxypropanolol
4-hydroxypropanolol is a metabolite of propranolol. Propranolol is a sympatholytic non-selective beta blocker. Sympatholytics are used to treat hypertension, anxiety and panic. It was the first successful beta blocker developed. Propranolol is available in generic form as propranolol hydrochloride, as well as an AstraZeneca and Wyeth product under the brand names Inderal, Inderal LA, Avlocardyl, Deralin, Dociton, Inderalici, InnoPran XL, Sumial, Anaprilinum, Bedranol SR. (Wikipedia)
Glutamylglutamine
Glutamylglutamine is a dipeptide composed of glutamate and glutamine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylglutamine 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.
(±)-Ribaline
Minor alkaloid from Ruta graveolens (rue). (±)-Ribaline is found in herbs and spices. (±)-Ribaline is found in herbs and spices. Minor alkaloid from Ruta graveolens (rue).
gamma-Glutamyllysine
gamma-Glutamyllysine is a dipeptide composed of gamma-glutamate and lysine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamyllysine 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.
4,5-Dihydropiperlonguminine
4,5-Dihydropiperlonguminine is found in herbs and spices. 4,5-Dihydropiperlonguminine is an alkaloid from fruits of Piper longum (long pepper). Alkaloid from fruits of Piper longum (long pepper). 4,5-Dihydropiperlonguminine is found in herbs and spices.
Norophthalmic acid
Norophthalmic acid (y-glutamyl-alanyl-glycine) is an analogue of glutathione (L-cysteine replaced by L-alanine) isolated from crystalline lens. [HMDB] Norophthalmic acid (y-glutamyl-alanyl-glycine) is an analogue of glutathione (L-cysteine replaced by L-alanine) isolated from crystalline lens.
Ethenodeoxyadenosine
Etheno nucleosides are a new class of chemically modified components of nucleic acids. These base-modified nucleosides demonstrate significant biological properties, acting, among others, as antiviral or antitumor agents. One of the possible modifications of the nucleoside is their transformation into ethenonucleosides. Thus, nucleosides or their respective heterocyclic bases, possessing an exocyclic amino group, as well as a neighboring endocyclic nitrogen, can react with some bifunctional reagents (e.g., α-halocarbonyl compounds) to form products with an additional five-membered ring of the imidazole type. The ethenonucleosides basically do not occur in nature; some of the only exceptions are Y-nucleosides. Etheno modified DNA bases are generated from the carcinogens vinyl chloride and urethane, but also by reactions of DNA with products derived from lipid peroxidation (LPO) and oxidative stress via endogenous pathways. Highly variable background levels of epsilon-adducts were detected in DNA from different organs of unexposed humans and rodents. Several known cancer risk factors increased the level of these DNA lesions in target organs: elevated epsilon-adducts were found in hepatic DNA from patients with metal storage diseases, after overproduction of nitric oxide (NO) by inducible NO synthase (iNOS) in a mouse model, and in colonic polyps of familial adenomatous polyposis patients. A high omega-6-polyunsaturated fatty acid diet increased epsilon-DNA adducts in white blood cells of female subjects. (PMID:10882861). Etheno (epsilon) modified DNA bases are generated from the carcinogens vinyl chloride and urethane, but also by reactions of DNA with products derived from lipid peroxidation (LPO) and oxidative stress via endogenous pathways. Highly variable background levels of epsilon-adducts were detected in DNA from different organs of unexposed humans and rodents. Several known cancer risk factors increased the level of these DNA lesions in target organs: elevated epsilon-adducts were found in hepatic DNA from patients with metal storage diseases, after overproduction of nitric oxide (NO) by inducible NO synthase (iNOS) in a mouse model, and in colonic polyps of familial adenomatous polyposis patients. A high omega-6-polyunsaturated fatty acid diet increased epsilon-DNA adducts in white blood cells of female subjects. (PMID: 10882861) [HMDB] N6-Etheno 2'-deoxyadenosine is a reactive oxygen species (ROS)/reactive nitrogen species (RNS)-induced DNA oxidation product, used as a biomarker to evaluate chronic inflammation and lipid peroxidation in animal or human tissues[1].
Lysylglutamic acid
Lysylglutamic acid is a dipeptide composed of lysine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glutaminylglutamic acid
Glutaminylglutamic acid is a dipeptide composed of glutamine and glutamic acid. 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.
Glutamyllysine
Glutamyllysine is a dipeptide composed of glutamate and lysine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamyllysine 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. The absorption of glutamyllysine is facilitated by the human intestinal oligopeptide transporter (PEPT1) (PMID 16759105). Glutamyl-L-lysine is a dipeptide whose absorption is facilitated by the human intestinal oligopeptide transporter (PEPT1) (PMID 16759105).
Tryptophyl-Alanine
Tryptophyl-Alanine is a dipeptide composed of tryptophan and alanine. 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.
Glutarylcarnitine (C5-DC)
Glutarylcarnitine is an acylcarnitine. More specifically, it is an glutaric 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. Glutarylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine glutarylcarnitine 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. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). Glutarylcarnitine has been identified in the human placenta (PMID: 32033212 ). 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]. Glutarylcarnitine is the diagnostic metabolite for malonic aciduria and glutaric aciduria type I monitored in most tandem mass spectrometry newborn screening programmes.
Alanyltryptophan
Alanyltryptophan is a dipeptide composed of alanine and tryptophan. 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.
Glutamyl-Gamma-glutamate
Glutamyl-Gamma-glutamate is a dipeptide composed of glutamate and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
N-gamma-Glutamylglutamine
N-gamma-Glutamylglutamine is a dipeptide obtained from condensation of the gamma-carboxy group of glutamic acid with the side-chain amide group of glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone
5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone is produced by Fusarium equiseti. Production by Fusarium equiseti
O-Glutarylcarnitine
O-Glutarylcarnitine is an acylcarnitine. More specifically, it is an glutaric 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. O-Glutarylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine O-Glutarylcarnitine 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. 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-Ethylpropanedioylcarnitine
2-Ethylpropanedioylcarnitine is an acylcarnitine. More specifically, it is an 2-ethylpropanedioic 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. 2-Ethylpropanedioylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 2-Ethylpropanedioylcarnitine 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. 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].
N6-Etheno 2'-deoxyadenosine
N6-Etheno 2'-deoxyadenosine is a reactive oxygen species (ROS)/reactive nitrogen species (RNS)-induced DNA oxidation product, used as a biomarker to evaluate chronic inflammation and lipid peroxidation in animal or human tissues[1].
Dihydro-beta-erythroidine
Ibafloxacin
Metronidazole benzoate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C784 - Protein Synthesis Inhibitor
1-((2-Methyl-5-methylene-5-oxotetrahydrofuran-2-yl)methyl)guanine
Rolipram
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
1-(3-Hydroxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyrrolidin-2-one
(2S,3S,5R)-5-(6-Aminopurin-9-yl)-2-(2H-oxet-2-yl)oxolan-3-ol
[(1S,2S,4S,5S)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-4-bicyclo[3.1.0]hexanyl]methanol
1-(3,4-Dimethoxycinnamoyl)piperidine
Imazapic
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3452; ORIGINAL_PRECURSOR_SCAN_NO 3451 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3472; ORIGINAL_PRECURSOR_SCAN_NO 3470 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3387; ORIGINAL_PRECURSOR_SCAN_NO 3385 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3462; ORIGINAL_PRECURSOR_SCAN_NO 3461 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3400; ORIGINAL_PRECURSOR_SCAN_NO 3398 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3396; ORIGINAL_PRECURSOR_SCAN_NO 3394 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7071; ORIGINAL_PRECURSOR_SCAN_NO 7067 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7108; ORIGINAL_PRECURSOR_SCAN_NO 7106 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7114; ORIGINAL_PRECURSOR_SCAN_NO 7111 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7134; ORIGINAL_PRECURSOR_SCAN_NO 7132 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7141; ORIGINAL_PRECURSOR_SCAN_NO 7139 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7149; ORIGINAL_PRECURSOR_SCAN_NO 7147
Methylenedioxypyrovalerone
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants
rolipram
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
N1-(2,4-Dimethoxyphenyl)-2-cyano-3-(dimethylamino)acrylamide
2-(1,2-dihydroxy-1-methyl-ethyl)-9-methyl-3,9-dihydro-2H-furo[2,3-b]quinolin-4-one|Folisin|Folisine
(Z)-1-(4,5-Methylenedioxy-2-methoxycinnamoyl)pyrrolidine|N-[3-(3,4-methylenedioxy,6-methoxyphenyl)-2(Z)-propenoyl]pyrrolidine|N-[3-(6-Methoxy-3,4-methylenedioxyphenyl)-2(Z)-propenoyl]pyrrolidine
3-oxo-8alpha-methoxy-10alphaH-eremophila-1,7(11)-dien-12,8beta-lactam|3-Oxo-8??-methoxy-10??H-eremophila-1,7(11)-dien-12,8??-lactam
(-)-3alpha-phenylacetoxytropan-6beta-ol|3alpha-phenylacetoxytropan-6beta-ol
8-Methoxy-1-methyl-2-hydroxy-isopentyl-chinolon-(4) (?), Pilokeanin
3alpha-(3-hydroxyphenylacetoxy)tropane|Tropan-3alpha-yl 3-hydroxyphenylacetate
5-methoxy-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinoline-3,7-diol|N-demethyl-O-methyl-ribalinidine|Ribalinidin
1,2-dihydro-alpha-erythroidine|3beta-methoxy-(12beta)-12,17-dihydro-16-oxa-erythrin-6-en-15-one|beta-Erythroidin
(2E,4E,6E)-N-isopentyl-7-(2-thienyl)-2,4,6-heptatrienamide
(-)-debromoeudistomin K|(-)-Debromoeudistomin L|Debromoeudistomin K|debromoeudistomin K trifluoroacetate
alpha-deS-Glutathione|H-alpha-Glu-Ala-Gly-OH|norophthalmic acid
2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydro-furo[2,3-b]quinolin-3-ol|Myrtopsin|Myrtopsine|trans-2,3-dihydro-3-hydroxy-4-methoxy-alpha,alpha-dimethylfuro[2,3-b]quinoline-2-methanol
alanyltryptophan
Alanyltryptophan is a derivative of tryptophan. Tryptophan is an essential amino acid which is the precursor of serotonin. [HMDB]
3-hydroxy-14,17-dihydro-16-oxa-11a-homo-erythrin-1(6)-en-15-one
R-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one
DHbetaE
Dihydro-beta-erythroidine is an organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene. It has a role as a nicotinic antagonist. It is an organic heterotetracyclic compound, a delta-lactone and a tertiary amino compound. It is functionally related to a beta-erythroidine. Dihydro analog of beta-erythroidine, which is isolated from the seeds and other plant parts of Erythrina sp. Leguminosae. It is an alkaloid with curarimimetic properties.
gamma-Glutamylglutamine
H-γ-Glu-Gln-OH is a hydrophilic peptide and can be conjugated to drugs. The carrier composed of H-γ-Glu-Gln-OH has the characteristics of high water solubility and drug-loading capacity, good biocompatibility, low toxicity, improved tumor targeting ability, and anti-tumor efficacy[1].
bupropion hydrochloride
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators D000077444 - Smoking Cessation Agents
(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-4-enamide
4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzaldehyde
(4E,6E)-3-(4-formylanilino)-8-hydroxyocta-4,6-dienoic acid
Ethenodeoxyadenosine
N6-Etheno 2'-deoxyadenosine is a reactive oxygen species (ROS)/reactive nitrogen species (RNS)-induced DNA oxidation product, used as a biomarker to evaluate chronic inflammation and lipid peroxidation in animal or human tissues[1].
7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
S-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one
R-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one
(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-4-enamide [IIN-based on: CCMSLIB00000846219]
(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-4-enamide [IIN-based: Match]
Glutarylcarnitine
Glutarylcarnitine is the diagnostic metabolite for malonic aciduria and glutaric aciduria type I monitored in most tandem mass spectrometry newborn screening programmes.
Norophthalmic acid
A tripeptide composed of L-glutamic acid, L-alanine, and glycine residues joined in sequence by peptide linkages.
S-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one
Ala-Trp
A dipeptide formed from L-alanyl and L-tryptophan residues.
TRP-Ala
A dipeptide formed from L-tryptophan and L-alanine residues.
5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone
Pyrido[2,3-b][1,6]naphthyridine, 6,7,8,9-tetrahydro-7-(phenylmethyl)- (9CI)
cis-2-(benzyloxycarbonylamino)-4-cyclohexene-1-carboxylic acid
Butanamide,N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-
[7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
3-(1-Oxo-4-Phenylphthalazin-2(1H)-yl)propaneitrile
propan-2-yl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE
2-AMINO-4-(4-ISOPROPYL-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
N-(4-CHLOROPHENYL)-N-(4,6-DIMETHYLPYRIMIDIN-2-YL)GUANIDINE
4-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoic acid
2-AMINO-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLICACIDMETHYLESTER
METHYL 2-OXO-1-(PIPERIDIN-4-YL)-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
benzphetamine hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
3-nitro-trans-beta-styrylboronic acid pinacol ester
N-BOC-THIOMORPHOLINE-3-CARBOXYLIC ACID ETHYL ESTER
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]acetic acid
4-(4-METHOXY-2,5-DIMETHYL-PHENYL)-5-METHYL-THIAZOL-2-YLAMINE
3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid methyl ester hydrochloride
5,5,5-TRIFLUORO-4-P-TOLYLAMINO-PENTANOIC ACID METHYL ESTER
3-hydroxy-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide
2-AMINO-4-(2,4-DIMETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLICACIDMETHYLESTER
4,4,5,5-tetramethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3,2-dioxaborolane
tris(2-hydroxyethyl)methylammonium methyl sulphate
Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
1-(DIPHENYLMETHYL)-3-HYDROXYAZETIDINE HYDROCHLORIDE
(2S,4R)-N-Boc-4-acetylthio-2-hydroxymethyl-1-pyrrolidinecarboxylic acid
2H-Thiopyran-4-acetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro
Ethyl 2-amino-5-(4-nitrophenyl)-1H-pyrrole-3-carboxylate
1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S,4S)
(1-(TERT-BUTOXYCARBONYL)-4-METHYL-1H-INDOL-2-YL)BORONIC ACID
Spiro[piperidine-4,2(3aH)-thiazolo[5,4-c]pyridine],4,5,6,7-tetrahydro-1,5-dimethyl-, hydrochloride (1:2)
2-(tert-Butylamino)-4′-chloropropiophenone hydrochloride
3-PHENYL-4-(1H-TETRAZOL-5-YLCARBAMOYL)-BUTYRIC ACID
3-[(3,5-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Choline tosylate
Choline tosylate is a nucleophilic compound that inhibits phospholipase A2 and phospholipase C. Choline tosylate inhibits tumor growth in mice by inhibiting the formation of diacylglycerol (DAG)[1][2].
1-Pentanone-5-methoxy-1-[4-(trifluoromethyl)phenyl]-oxime
8-cyclopentyl-5-Methyl-2-(Methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
Levalbuterol Hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Levalbuterol ((R)-Albuterol) hydrochloride is a short-acting β2-adrenergic receptor agonist and the active (R)-enantiomer of Salbutamol. Levalbuterol hydrochloride is a more potent bronchodilator than Salbutamol and has the potential for the treatment of COPD[1].
ethyl (E)-3-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
Ibafloxacin
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
4-CYANO-3-FLUOROPHENYL TRANS-4-ETHYLCYCLOHEXANECARBOXYLATE
4-ALLYL-5-(4-ETHYL-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
ethyl 3-[ethoxycarbonyl-(2-ethoxy-2-oxoethyl)amino]propanoate
ETHYL 6-METHOXY-7-METHYL-6H-[1,2,5]OXADIAZOLO[3,4-E]INDOLE-8-CARBOXYLATE
(1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOL-3-YL)BORONIC ACID
1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acid
(1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOL-6-YL)BORONIC ACID
4-(5-cyanopyridin-2-yl)-n-methyl-1,4-diazepane-1-carbothioamide
(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
Methyl (S)-4-Methylene-1-(benzyloxycarbonyl)pyrrolidine carboxylate
2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid 2-benzyl ester
Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate
7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
ethyl 3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
Methyldopate hydrochloride
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
Meturedepa
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
(1-(tert-Butyldimethylsilyl)-1H-indol-5-yl)boronic acid
5-(4-DIETHYLAMINO-BENZYLIDENE)-2-THIOXO-IMIDAZOLIDIN-4-ONE
6-[4-(DIMETHYLAMINO)PHENYL]-1,2,5,6-TETRAHYDRO-4-METHYL-2-OXO-5-PYRIMIDINECARBOX
2-Pyridinemethanol, 4-[4-(methylamino)-3-nitrophenoxy]
N-[6-(chloromethyl)naphthalen-2-yl]-2,2-dimethylpropanamide
ethyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate
Benzenesulfonamide,N-(2,6-dimethylphenyl)-4-methyl-
METHYL (2S)-1-CBZ-1,2,3,4-TETRAHYDRO-2-PYRIDINECARBOXYLATE
4-Methoxy-N-((4-(trifluoromethyl)phenyl)methyl)-butanamide
[4-Amino-2-(Tert-Butylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
5,6-dimethyl-2-[2-(1-pyrrolidinyl)ethylthio]-1H-benzimidazole
3-methoxy-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
5-Methyl-2-((4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid
5-Methyl-2-((4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid
3-(Naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
1-Methyl-3-Naphthalen-2-Yl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
2-[(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
3773-08-8
4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde
4-Amino-5-[(4-amino-1-carboxy-4-oxobutyl)amino]-5-oxopentanoic acid
3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoylpyrrole
A natural product found in Piper boehmeriaefolium.
lysylglutamic acid, Lys-Glu, H-LYS-GLU-OH, Peptide vilon
L-saccharopinate(1-)
The conjugate base of L-saccharopine arising from deprotonation of all three carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3.
4-Formyl-3-hydroxy-7-methyl-5,8-dioxo-1-propan-2-yl-6,7-dihydronaphthalen-2-olate
(2S,3S,4R,5S,6S)-5-acetamido-4-(1-aminoethylideneamino)-3,6-dihydroxyoxane-2-carboxylic acid
2-[(4-Aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
[(1S,2S,4S,5S)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-4-bicyclo[3.1.0]hexanyl]methanol
(2S,3S,5R)-5-(6-Aminopurin-9-yl)-2-(2H-oxet-2-yl)oxolan-3-ol
Ala-Ala-Asp
A tripeptide composed of two L-alanyl and an L-aspartic acid residue joined in sequence.
2-(2-furanyl)-N-phenyl-3-imidazo[1,2-a]pyridinamine
N-(4-methylphenyl)-4-benzofuro[3,2-d]pyrimidinamine
1-[2-(4-Methoxyphenyl)ethyl]-3,5-dimethyl-4-nitropyrazole
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)butanamide
(E)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-en-1-amine
N-(2-furanylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
2-(Hydroxymethyl)-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanenitrile
(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoate
A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid. It is a trimer of (3R)-hydroxybutanoate; major microspecies at pH 7.3.
N-butyl-5-(3,4-dimethylphenyl)-6H-1,3,4-thiadiazin-2-amine
Acetic acid [3-[3-(dimethylamino)-1-oxopropyl]-5-benzofuranyl] ester
(4E,6E)-3-(4-formylanilino)-8-hydroxyocta-4,6-dienoic acid
3-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
(6R)-6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptanoate
7-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptanoate
6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohexanoate
(5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohexanoate
(3R)-3-(4-carboxybutanoyloxy)-4-[methyl-bis(trideuteriomethyl)azaniumyl]butanoate
epsilon-(gamma-Glutamyl)lysine
An N(6)-acyl-L-lysine derivative in which the acyl group is specified as gamma-glutamyl.
2-(2-Acetylamino-4-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yloxy)-propionic acid
pentalenolactone(1-)
A monocarboxylic acid anion that is the conjugate base of pentalenolactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Glu-Lys
A dipeptide composed of L-glutamic acid and L-lysine joined by a peptide linkage.
(3S)-3-[(4-carboxybutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
1,N6-Ethenodeoxyadenosine
N6-Etheno 2'-deoxyadenosine is a reactive oxygen species (ROS)/reactive nitrogen species (RNS)-induced DNA oxidation product, used as a biomarker to evaluate chronic inflammation and lipid peroxidation in animal or human tissues[1].
gamma-Glu-Gln
A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of glutamine
oscr#1(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
O-Glutaroyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group is specified as glutaroyl.
epsilon-(gamma-glutamyl)lysine dizwitterion
An L-alpha-amino acid zwitterion that is the dizwitterionic form of epsilon-(gamma-glutamyl)lysine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3.
ascr#1(1-)
A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of ascr#1. The conjugate base of ascr#1 and the major species at pH 7.3.
