Exact Mass: 275.170761
Exact Mass Matches: 275.170761
Found 481 metabolites which its exact mass value is equals to given mass value 275.170761,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Physostigmine
Physostigmine is a white, odorless, microcrystalline powder. Used as a cholinergic (anticholinesterase) agent and as a veterinary medication. (EPA, 1998) Physostigmine is a carbamate ester and an indole alkaloid. It has a role as a miotic, an EC 3.1.1.8 (cholinesterase) inhibitor and an antidote to curare poisoning. A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. Physostigmine is a natural product found in Streptomyces griseofuscus, Streptomyces, and other organisms with data available. A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. See also: Physostigmine Salicylate (active moiety of). A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. [PubChem] S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors KEIO_ID E007; [MS2] KO008958 KEIO_ID E007
Cyclobenzaprine
Cyclobenzaprine is a skeletal muscle relaxant and a central nervous system (CNS) depressant. Cyclobenzaprine acts on the locus coeruleus where it results in increased norepinephrine release, potentially through the gamma fibers which innervate and inhibit the alpha motor neurons in the ventral horn of the spinal cord. It is structurally similar to Amitriptyline, differing by only one double bond. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
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
Annotine
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)
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)
Arginylthreonine
C10H21N5O4 (275.15934660000005)
Arginylthreonine is a dipeptide composed of arginine and threonine. 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.
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.
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.
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
C14H17N3O3 (275.12698520000004)
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.
Threonylarginine
C10H21N5O4 (275.15934660000005)
Threonylarginine is a dipeptide composed of threonine and arginine. 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.
Glutarylcarnitine (C5-DC)
C12H21NO6 (275.13688060000004)
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.
3-Hydroxyhexanoylcarnitine
Hydroxyhexanoycarnitine is an acylcarnitine. More specifically, it is an hydroxyhexanoic 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. Hydroxyhexanoycarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine hydroxyhexanoycarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
Alanyltryptophan
C14H17N3O3 (275.12698520000004)
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.
Citronellyl anthranilate
Citronellyl anthranilate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
O-Glutarylcarnitine
C12H21NO6 (275.13688060000004)
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].
4-Hydroxyhexanoycarnitine
4-Hydroxyhexanoycarnitine is an acylcarnitine. More specifically, it is an 4-hydroxyhexanoic 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. 4-Hydroxyhexanoycarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Hydroxyhexanoycarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. 4-Hydroxyhexanoycarnitine is elevated in the urine of individuals with metabolic syndrome (PMID: 33295818). Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
(5R)-5-Hydroxyhexanoylcarnitine
(5R)-5-hydroxyhexanoylcarnitine is an acylcarnitine. More specifically, it is an (5R)-5-hydroxyhexanoic 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. (5R)-5-hydroxyhexanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (5R)-5-hydroxyhexanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. (5R)-5-hydroxyhexanoylcarnitine is elevated in the urine of individuals with metabolic syndrome (PMID: 33295818). Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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
C12H21NO6 (275.13688060000004)
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].
Dihydro-beta-erythroidine
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
[(1S,2S,4S,5S)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-4-bicyclo[3.1.0]hexanyl]methanol
1-(3,4-Dimethoxycinnamoyl)piperidine
Imazapic
C14H17N3O3 (275.12698520000004)
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
C14H17N3O3 (275.12698520000004)
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
1,2-dihydro-alpha-erythroidine|3beta-methoxy-(12beta)-12,17-dihydro-16-oxa-erythrin-6-en-15-one|beta-Erythroidin
1-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-1,2,3,6-tetrahydro-pyridin-2-yl]-propan-2-ol|Sedacrin|Sedinin
triethyl 1-aminopropane-1,2,3-tricarboxylate
C12H21NO6 (275.13688060000004)
1,3-dideoxy-alpha-1-C-(8-hydroxyoctyl)mannojirimycin
(2E,4E,6E)-N-isopentyl-7-(2-thienyl)-2,4,6-heptatrienamide
O-methyldihydrojoubertiamine|O-methyldihydrojourbetiamine
6-[2-(1-hydroxybutyl)-4-methylphenyl]hex-5-enamide
N-((R)-3-Hydroxy-decanoyl)-L-serin|N-((R)-3-hydroxy-decanoyl)-L-serine|Serratamic acid|Serrataminsaeure
2-[6-(2-Hydroxy-propyl)-1-methyl-[2]piperidyl]-1-phenyl-aethanon|2-[6-(2-hydroxy-propyl)-1-methyl-[2]piperidyl]-1-phenyl-ethanone
alanyltryptophan
C14H17N3O3 (275.12698520000004)
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.
Eserine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.444 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.438
(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-4-enamide
Physostigmine
CONFIDENCE standard compound; INTERNAL_ID 979; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5547; ORIGINAL_PRECURSOR_SCAN_NO 5545 S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 979; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5557; ORIGINAL_PRECURSOR_SCAN_NO 5556 CONFIDENCE standard compound; INTERNAL_ID 979; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5565; ORIGINAL_PRECURSOR_SCAN_NO 5563 CONFIDENCE standard compound; INTERNAL_ID 979; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5582; ORIGINAL_PRECURSOR_SCAN_NO 5581 CONFIDENCE standard compound; INTERNAL_ID 979; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5563; ORIGINAL_PRECURSOR_SCAN_NO 5562 CONFIDENCE standard compound; INTERNAL_ID 979; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5574; ORIGINAL_PRECURSOR_SCAN_NO 5571 Formula(Parent): C15H21N3O2; Bottle Name:Eserine; PRIME Parent Name:Eserine / Physostigmine; PRIME in-house No.:V0352 0226; SubCategory_DNP: Alkaloids derived from tryptophan, Simple tryptamine alkaloids, Indole alkaloids Annotation level-1
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]
Glutaryl-carnitine; AIF; CE00; CorrDec
C12H21NO6 (275.13688060000004)
Glutaryl-carnitine; AIF; CE10; CorrDec
C12H21NO6 (275.13688060000004)
Glutaryl-carnitine; AIF; CE30; CorrDec
C12H21NO6 (275.13688060000004)
Glutaryl-carnitine; AIF; CE0; MS2Dec
C12H21NO6 (275.13688060000004)
Glutaryl-carnitine; AIF; CE10; MS2Dec
C12H21NO6 (275.13688060000004)
Glutaryl-carnitine; AIF; CE30; MS2Dec
C12H21NO6 (275.13688060000004)
Glutarylcarnitine
C12H21NO6 (275.13688060000004)
Glutarylcarnitine is the diagnostic metabolite for malonic aciduria and glutaric aciduria type I monitored in most tandem mass spectrometry newborn screening programmes.
S-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one
Ala-Trp
C14H17N3O3 (275.12698520000004)
A dipeptide formed from L-alanyl and L-tryptophan residues.
Arg-THR
C10H21N5O4 (275.15934660000005)
THR-Arg
C10H21N5O4 (275.15934660000005)
A dipeptide formed from L-threonine and L-arginine residues.
TRP-Ala
C14H17N3O3 (275.12698520000004)
A dipeptide formed from L-tryptophan and L-alanine residues.
(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl benzoate
CAR 5:1;O2
C12H21NO6 (275.13688060000004)
TERT-BUTYL2,2-DIMETHYL-4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE
Pyrido[2,3-b][1,6]naphthyridine, 6,7,8,9-tetrahydro-7-(phenylmethyl)- (9CI)
4-Piperidinecarboxamide,4-[(1-methylethyl)amino]-1-(phenylmethyl)-
1,2,5-Trimethyl-4-phenyl-4-propionoxypiperidine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
tert-butyl 3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate
[7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
2-Methyl-2-propanyl [(2-ethyl-1H-indol-4-yl)oxy]acetate
Betameprodina
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Tetraethylammonium hexafluorophosphate
C8H20F6NP (275.12374819999997)
Hexahydro-5-oxo-1-(phenylmethyl)-1H-azepine-4-carboxylic acid ethyl ester
METHYL 2-OXO-1-(PIPERIDIN-4-YL)-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
C14H17N3O3 (275.12698520000004)
benzphetamine hydrochloride
C17H22ClN (275.14406820000005)
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
ethyl 4-[(benzylamino)methyl]cyclohexanecarboxylate
3-nitro-trans-beta-styrylboronic acid pinacol ester
Ethanol,2,2,2-nitrilotris-, 1,1,1-triacetate
C12H21NO6 (275.13688060000004)
(1-BENZYL-4-OXO-PIPERIDIN-3-YL)-ACETIC ACID ETHYL ESTER
4-(4-METHOXY-2,5-DIMETHYL-PHENYL)-5-METHYL-THIAZOL-2-YLAMINE
C14H17N3O3 (275.12698520000004)
3-hydroxy-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide
C14H17N3O3 (275.12698520000004)
N-(4-TERT-BUTYLBENZYL)PIPERIDINE-4-CARBOXYLIC ACID
TERT-BUTYL 2-(TERT-BUTYLDIMETHYLSILYLOXY)ETHYLCARBAMATE
3-(3-ISOPROPYL-1-OXOPROPYL)-4(R)-(1-PHENYLMETHYL)-2-OXAZOLIDINONE
7-Diethylamino-2-Oxo-Chromene-3-Carbohydrazide
C14H17N3O3 (275.12698520000004)
4,4,5,5-tetramethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3,2-dioxaborolane
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
4-METHYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
C15H22BNO3 (275.16926520000004)
2-(cyclopropylmethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C15H22BNO3 (275.16926520000004)
Benzyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate
3-(N,N-Dimethylaminocarbonyl)phenylboronic acid pinacol ester
C15H22BNO3 (275.16926520000004)
isopropyl 4-(5-amino-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
(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)
(S)-tert-butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
8-Benzyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid
N-[2-(Diethylamino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
tert-butyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
N-METHYL-2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETAMIDE
C15H22BNO3 (275.16926520000004)
4-Piperidinecarboxamide,1-(phenylmethyl)-4-(propylamino)-
5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
Levalbuterol Hydrochloride
C13H22ClNO3 (275.12881319999997)
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].
2-CYCLOBUTOXY-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
C15H22BNO3 (275.16926520000004)
2-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylpropan-1-one
3-(Boc-amino)-3-(4-tetrahydrothiopyranyl)-1-propanol
4-CYANO-3-FLUOROPHENYL TRANS-4-ETHYLCYCLOHEXANECARBOXYLATE
(3S)-5-[(3-AMINO-3-CARBOXYPROPYL)METHYLSULFONIO]-5-DEOXY-ADENOSINE1,4-BUTANEDISULFONATE1,4-BUTANEDISULFONATE(2:1:2)
N-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)PROPAN-1-AMINE
ethyl 3-[ethoxycarbonyl-(2-ethoxy-2-oxoethyl)amino]propanoate
C12H21NO6 (275.13688060000004)
3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-fluoropropanoic ac
1,1-dimethyl-2-(4-methoxyphenyl)ethylamine hydrochloride
N,N-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
C15H22BNO3 (275.16926520000004)
2-(pyrrolidin-1-yl)pyrimidine-5-boronic acid pinacol ester
(1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOL-3-YL)BORONIC ACID
C14H22BNO2Si (275.15127820000004)
6-Cyclopropylmethoxypyridine-3-boronic acid pinacol ester
C15H22BNO3 (275.16926520000004)
1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acid
C14H22BNO2Si (275.15127820000004)
(1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOL-6-YL)BORONIC ACID
C14H22BNO2Si (275.15127820000004)
(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
C14H17N3O3 (275.12698520000004)
4-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester
C15H22BNO3 (275.16926520000004)
1-(3,5-dimethylphenyl)-7-(1-methylethyl)-Isoquinoline
3-(6-CYCLOHEXYLOXY-PYRIDIN-3-YL)-ACRYLIC ACID ETHYL ESTER
N-[3-(Dimethoxymethylsilyl)propyl]-1-piperazineethanamine
2-Methyl-2-propanyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-homoserinate
N-Methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
C15H22BNO3 (275.16926520000004)
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
C14H17N3O3 (275.12698520000004)
8-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-2-ol
Meturedepa
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
(1-(tert-Butyldimethylsilyl)-1H-indol-5-yl)boronic acid
C14H22BNO2Si (275.15127820000004)
(3S,4S)-3,4-BIS[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]PYRROLIDINE
Alphameprodine
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
6-[4-(DIMETHYLAMINO)PHENYL]-1,2,5,6-TETRAHYDRO-4-METHYL-2-OXO-5-PYRIMIDINECARBOX
C14H17N3O3 (275.12698520000004)
2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)aniline
benzyl N-(1-pyrrolidin-3-ylazetidin-3-yl)carbamate
benzyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
DIETHYL2-(TERT-BUTOXYCARBONYLAMINO)MALONATE
C12H21NO6 (275.13688060000004)
Hydroxy-phenyl-acetic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-YL ester
Homotropine
S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
5-methoxy-3-methyl-N-(3-methylbutyl)-2-benzofurancarboxamide
5,6-dimethyl-2-[2-(1-pyrrolidinyl)ethylthio]-1H-benzimidazole
5-[(1-Phenylcyclohexyl)amino]pentanoic acid
A fatty acid derivative consisting of valeric acid substituted at C-5 with an N-(1-phenylcyclohexyl)amino group.
5-Methyl-2-((4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid
C14H17N3O3 (275.12698520000004)
5-Methyl-2-((4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid
C14H17N3O3 (275.12698520000004)
3-Hydroxyhexanoylcarnitine
Hydroxyhexanoycarnitine is an acylcarnitine. More specifically, it is an hydroxyhexanoic 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. Hydroxyhexanoycarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine hydroxyhexanoycarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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]
Dihydro-beta-erythroidine
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.
cis-Parinarate
A straight-chain, unsaturated, long-chain fatty acid anion that is the conjugate base of cis-parinaric acid, arising from deprotonation of the carboxylic acid group.
[(1S,2S,4S,5S)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-4-bicyclo[3.1.0]hexanyl]methanol
Homatropin
S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
N-methylcarbamic acid [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester
[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate
S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
3-(1-Piperidinyl)-1-(4-propan-2-yloxyphenyl)-1-propanone
1-[2-(4-Methoxyphenyl)ethyl]-3,5-dimethyl-4-nitropyrazole
C14H17N3O3 (275.12698520000004)
1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide
3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide
2-(Hydroxymethyl)-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanenitrile
C14H17N3O3 (275.12698520000004)
N-butyl-5-(3,4-dimethylphenyl)-6H-1,3,4-thiadiazin-2-amine
(1R,2aR,8bR)-1-(hydroxymethyl)-N-propan-2-yl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinoline-2-carboxamide
(1S,2aR,8bR)-1-(hydroxymethyl)-N-propan-2-yl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinoline-2-carboxamide
3-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-propylacetamide
(6R)-6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptanoate
7-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptanoate
(3R)-3-(4-carboxybutanoyloxy)-4-[methyl-bis(trideuteriomethyl)azaniumyl]butanoate
C12H21NO6 (275.13688060000004)
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate
(4E)-N-Isobutyl-5-(1,3-benzodioxol-5-yl)-4-pentenamide
cyclobenzaprine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
epsilon-(gamma-Glutamyl)lysine
An N(6)-acyl-L-lysine derivative in which the acyl group is specified as gamma-glutamyl.
(6Z,9Z,12Z,15Z)-Octadecatetraenoate
A polyunsaturated fatty acid anion that is the conjugate base of (6Z,9Z,12Z,15Z)-octadecatetraenoic acid, 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.
O-glutarylcarnitine
C12H21NO6 (275.13688060000004)
An O-acylcarnitine having glutaryl as the acyl substituent.
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate
(3S)-3-[(4-carboxybutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
C12H21NO6 (275.13688060000004)
trans-parinarate
A straight-chain, unsaturated fatty acid anion that is the conjugate base of trans-parinaric acid, arising from deprotonation of the carboxylic acid group.
octadecatetraenoate
A fatty acid anion containing 18 carbons and four double bonds. Formed by deprotonation of the carboxylic acid group. Major species at pH 7.3.
O-hydroxyhexanoyl-L-carnitine
An O-acyl-L-carnitine that is L-carnitine having a hydroxyhexanoyl group as the acyl substituent in which the position of the hydroxy group is unspecified.
2-hydroxy-2-phenylacetic acid [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
2-hydroxy-2-phenylacetic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
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
C12H21NO6 (275.13688060000004)
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.
1-({1,3a,8-trimethyl-2h,3h,8ah-pyrrolo[2,3-b]indol-5-yl}oxy)-n-methylmethanimidic acid
n-[(2e,6e)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dien-1-yl]guanidine
8-hydroxy-4,11-dimethyl-1h,2h,3h,5h,6h,8h,9h,9ah,10h-indeno[1,7a-e]azonin-13-one
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid
C14H17N3O3 (275.12698520000004)
(2s)-6-amino-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}hexanoic acid
6-amino-2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]hexanoic acid
3-oxo-8α-methoxy-10αh-eremophila-1,7(11)-dien-12,8β-lactam
{"Ingredient_id": "HBIN009412","Ingredient_name": "3-oxo-8\u03b1-methoxy-10\u03b1h-eremophila-1,7(11)-dien-12,8\u03b2-lactam","Alias": "NA","Ingredient_formula": "C16H21NO3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16367","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,12s,14r)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9-triene-9,14-diol
(8s,9ar,13ar)-8-hydroxy-4,11-dimethyl-1h,2h,3h,5h,6h,8h,9h,9ah,10h-indeno[1,7a-e]azonin-13-one
(1s,5s)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate
3-[(2s,5s)-5-benzyl-3,6-dihydroxy-2,5-dihydropyrazin-2-yl]propanimidic acid
C14H17N3O3 (275.12698520000004)
2-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]-1-phenylethanone
9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17)-trien-14-ol
(2e,4e,6e)-n-(3-methylbutyl)-7-(thiophen-2-yl)hepta-2,4,6-trienimidic acid
(8s,9as,13as)-8-hydroxy-4,11-dimethyl-1h,2h,3h,5h,6h,8h,9h,9ah,10h-indeno[1,7a-e]azonin-13-one
2-[(2r,6s)-6-[(2s)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone
15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.1¹¹,¹⁴.0¹,¹⁷.0²,⁴.0⁶,¹⁷]octadecan-13-one
15-methyl-13-oxa-8-azatricyclo[6.5.4.0⁴,¹²]heptadeca-1,4(12)-diene-3,17-dione
13-hydroxy-4-imino-6,11,11-trimethyl-9-oxa-3,5-diazatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2,6-trien-8-one
C14H17N3O3 (275.12698520000004)
7-methyl-hexahydro-1h-pyrrolizin-1-yl 4-methoxybenzoate
(1r,12s,14s)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17)-trien-14-ol
1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-one
(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
2,11-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadeca-8,10-dien-12-one
(1r,2s,4r,10s,11r,14s,15r,17s)-15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.1¹¹,¹⁴.0¹,¹⁷.0²,⁴.0⁶,¹⁷]octadecan-13-one
8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-methoxybenzoate
(1r,3s,5s)-8-azabicyclo[3.2.1]octan-3-yl (2r)-3-hydroxy-2-phenylpropanoate
(2s)-1-[(2s,6r)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2h-pyridin-2-yl]propan-2-ol
(1r,3r,5r,6s)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate
(1'r,2r,7's,8'r,10's)-8'-ethyl-3-methyl-2'-azaspiro[furan-2,9'-tricyclo[5.5.0.0²,¹⁰]dodecan]-5-one
5-(2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)pentan-1-one
6-methyl-13-azatetracyclo[11.3.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione
4-[(2e,5r,6e)-5,7-dimethyl-4-oxonona-2,6,8-trien-1-yl]-6-hydroxy-4,5-dihydro-3h-pyridin-2-one
2-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,8ah,9h-cyclohexa[f]indol-6-one
4-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)cyclohexan-1-one
(1r,9s,10r,13s,14s)-14-propyl-11-oxa-5-azatetracyclo[7.4.1.1¹⁰,¹³.0⁵,¹⁴]pentadec-3-ene-2,12-dione
(1s,5r)-3-hydroxy-8-methyl-6-phenyl-8-azabicyclo[3.2.1]octan-1-yl acetate
4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9-triene-9,14-diol
1-[6-(2-hydroxy-2-phenylethyl)-1-methyl-3,6-dihydro-2h-pyridin-2-yl]propan-2-ol
1-[(2r,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one
(1r,2s,4r,10s,11r,14s,15s,17s)-15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.1¹¹,¹⁴.0¹,¹⁷.0²,⁴.0⁶,¹⁷]octadecan-13-one
5-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5-triene-4,15-diol
(2r)-1-[2-hydroxy-3-(propan-2-ylidene)indol-6-yl]-3-methylbutane-2,3-diol
(1r,12s,14s)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9-triene-9,14-diol
5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)pent-2-enimidic acid
1-[(2s,6r)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one
(8r,9as,13as)-8-hydroxy-4,11-dimethyl-1h,2h,3h,5h,6h,8h,9h,9ah,10h-indeno[1,7a-e]azonin-13-one
(2e)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)pent-2-enimidic acid
1-{[(3as,8ar)-1,3a,8-trimethyl-2h,3h,8ah-pyrrolo[2,3-b]indol-5-yl]oxy}-n-methylmethanimidic acid
(15r)-15-methyl-13-oxa-8-azatricyclo[6.5.4.0⁴,¹²]heptadeca-1,4(12)-diene-3,17-dione
(1s,10s,12r)-4-methoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-triene-5,12-diol
8-(2-hydroxy-6-methylbenzoyl)-octahydroindolizin-7-ol
10-hydroxy-16-methyl-14-oxa-6-azapentacyclo[8.7.0.0¹,⁶.0²,¹³.0¹¹,¹⁶]heptadec-8-en-15-one
(7s,8r,8ar)-8-(2-hydroxy-6-methylbenzoyl)-octahydroindolizin-7-ol
n-[3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dien-1-yl]guanidine
(2s)-1-[(2r,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2h-pyridin-2-yl]propan-2-ol
(13r)-13-hydroxy-4-imino-6,11,11-trimethyl-9-oxa-3,5-diazatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2,6-trien-8-one
C14H17N3O3 (275.12698520000004)
(1s,2s,10s,11r,13r,16r)-10-hydroxy-16-methyl-14-oxa-6-azapentacyclo[8.7.0.0¹,⁶.0²,¹³.0¹¹,¹⁶]heptadec-8-en-15-one
(2r)-1-[(2r,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methyl-5,6-dihydro-2h-pyridin-2-yl]propan-2-ol
4-methoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-triene-5,12-diol
(1r,3s,5s)-8-azabicyclo[3.2.1]octan-3-yl (2s)-3-hydroxy-2-phenylpropanoate
(1s,2s,13r,15r)-2,11-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadeca-8,10-dien-12-one
4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid
(2s)-2-{[(3r)-1,3-dihydroxydecylidene]amino}-3-hydroxypropanoic acid
(7r,8s,8as)-8-(2-hydroxy-6-methylbenzoyl)-octahydroindolizin-7-ol
(1r,3r,5s)-8-azabicyclo[3.2.1]octan-3-yl (2r)-3-hydroxy-2-phenylpropanoate
8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}propanoic acid
C14H17N3O3 (275.12698520000004)