Exact Mass: 275.188519
Exact Mass Matches: 275.188519
Found 430 metabolites which its exact mass value is equals to given mass value 275.188519,
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).
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.
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].
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 .
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].
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
1-(3,4-Dimethoxycinnamoyl)piperidine
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
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
2,4,8,11-Tetradecatetraenoic aicd isobutylamide|hazaleamide|N-isobutyl-(2E,4E,8Z,11Z)-tetradecatetraenamide
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
1,3-dideoxy-alpha-1-C-(8-hydroxyoctyl)mannojirimycin
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
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]
(8S,Z)-6-((R,E)-2,5-dimethylhepta-4,6-dien-1-ylidene)-8-methyloctahydroindolizin-8-ol
S-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one
Arg-THR
C10H21N5O4 (275.15934660000005)
THR-Arg
C10H21N5O4 (275.15934660000005)
A dipeptide formed from L-threonine and L-arginine residues.
(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl benzoate
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
2-Methyl-2-propanyl [(2-ethyl-1H-indol-4-yl)oxy]acetate
Betameprodina
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Hexahydro-5-oxo-1-(phenylmethyl)-1H-azepine-4-carboxylic acid ethyl ester
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
(1-BENZYL-4-OXO-PIPERIDIN-3-YL)-ACETIC ACID ETHYL ESTER
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
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
(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
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
(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
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)
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)
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
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
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.
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
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.
Homatropin
S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
(1S,2R)-5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
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-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide
5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide
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
[(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.
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate
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.
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
(2e,4e,8z,11z)-n-(2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
(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"}