Exact Mass: 299.168338
Exact Mass Matches: 299.168338
Found 80 metabolites which its exact mass value is equals to given mass value 299.168338,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
indicine
Rinderine is a member of pyrrolizines. Rinderine is a natural product found in Chromolaena odorata, Eupatorium japonicum, and other organisms with data available.
Lycopsamine
Lycopsamine, also known as indicine or 9-viridiflorylretronecine, belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Lycopsamine is soluble (in water) and a very weakly acidic compound (based on its pKa). Lycopsamine can be found in borage, which makes lycopsamine a potential biomarker for the consumption of this food product. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2270
intermedine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2293
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
2-(3-carboxy-3-(trimethylammonio)propyl)-l-histidine is part of the Protein modification pathway. It is a substrate for: Diphthine synthase.
Diphthine
This compound belongs to the family of Alpha Amino Acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
3-Hydroxyocta-2,5-dienoylcarnitine
3-hydroxyocta-2,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-2,5-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-2,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-2,5-dienoylcarnitine 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].
3-Hydroxyocta-2,6-dienoylcarnitine
3-hydroxyocta-2,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-2,6-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-2,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-2,6-dienoylcarnitine 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].
3-Hydroxyocta-3,6-dienoylcarnitine
3-hydroxyocta-3,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-3,6-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-3,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-3,6-dienoylcarnitine 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].
3-Hydroxyocta-2,4-dienoylcarnitine
3-hydroxyocta-2,4-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-2,4-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-2,4-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-2,4-dienoylcarnitine 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].
(4Z,6Z)-3-Hydroxyocta-4,6-dienoylcarnitine
(4Z,6Z)-3-hydroxyocta-4,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an (4Z,6Z)-3-hydroxyocta-4,6-dienoic 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. (4Z,6Z)-3-hydroxyocta-4,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (4Z,6Z)-3-hydroxyocta-4,6-dienoylcarnitine 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].
3-Hydroxyocta-3,5-dienoylcarnitine
3-hydroxyocta-3,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-3,5-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-3,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-3,5-dienoylcarnitine 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].
1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
Indicine
Intermedina
Intermedine is a carboxylic ester compound formed from condensation between retronecine and (2S,3R)-2,3-dihydroxy-2-isopropylbutanoic acid. It is a member of pyrrolizines, an azabicycloalkane and a carboxylic ester. Intermedine is a natural product found in Eupatorium cannabinum, Chromolaena odorata, and other organisms with data available. See also: Comfrey Leaf (part of); Comfrey Root (part of).
indicine
Lycopsamine is a member of pyrrolizines. Lycopsamine is a natural product found in Brickellia grandiflora, Eupatorium cannabinum, and other organisms with data available. See also: Comfrey Leaf (part of); Comfrey Root (part of); Borage (part of).
PYR_300.1709_10.6
CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1); INTERNAL_ID 1710
echinatine
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
7-Ethoxycarbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3,3,1]nonan-3-ol
1H-IMIDAZO[4,5-C]QUINOLINE-1-PROPANAMINE,4-AMINO-2-(ETHOXYMETHYL)
N2-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDINE-2,5-DIAMINE
5-BOC-1-PHENYL-1,4,6,7-TETRAHYDROPYRAZOLO[4,3-C]PYRIDINE
Urea, N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]-N,N-dimethyl- (9CI)
4-(2-ETHOXYCARBONYL-ACETYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol,hydrochloride
TRAMADOL HYDROCHLORIDE
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Piperazine, 1-[(3-formyl-2-methyl-1H-indol-1-yl)acetyl]-4-methyl- (9CI)
butyl prop-2-enoate,methyl 2-methylprop-2-enoate,prop-2-enamide
Azepino[4,5-b]indole-5-carboxylic acid, 9-amino-1,2,3,6-tetrahydro-1,1-dimethyl-, ethyl ester
2-Methyl-2-propanyl 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro -1(2H)-pyridinecarboxylate
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)(4-phenyl-1-piperazinyl)
1-Oxa-8-azaspiro[4.5]decane-3-acetic acid, 8-[(1,1-dimethylethoxy)carbonyl]-
7-Boc-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
5-METHYL-2-((3-(4-METHYLPIPERAZIN-1-YL)PHENYL)AMINO)PYRIMIDIN-4(3H)-ONE
TRIMETHYL[3-(TRIETHOXYSILYL)PROPYL]AMMONIUM CHLORIDE
TERT-BUTYL 3-PHENYL-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
(R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
(S)-2-{[(((1R,2R)-2-(allyloxy)cyclopentyl)oxy)carbonyl]amino}-3,3-dimethylbutanoic acid
3-(2-ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid tert-butyl ester
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(decyloxy)-, ammonium salt
4-Carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole
2-[(3S)-3-carboxy-3-(trimethylammonio)propyl]-L-histidine
2-[[6-Amino-2-[3-(dimethylamino)propylamino]-5-nitro-4-pyrimidinyl]amino]ethanol
N-(2-((4-Methoxybenzyl)(2-pyridinyl)amino)ethyl)-N-methylformamide
[(1S,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl 2,3-dihydroxy-2-(propan-2-yl)butanoate
fumigaclavine A(1+)
C18H23N2O2+ (299.17594379999997)
An ammonium ion obtained by the protonation of the tertiary amino group of fumigaclavine A; major species at pH 7.3.
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine
C18H23N2O2+ (299.17594379999997)
(2S)-2-[[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]amino]pentanedioic acid
1-[4-[4-(2-Furanylmethylamino)phenyl]-1-piperazinyl]ethanone
3-(Diethylamino)-1-(4-fluorophenyl)-2-phenyl-1-propanone
(3R,6S)-3-butan-2-yl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Diphthine
A quaternary ammonium ion consisting of L-histidine with a 3-(trimethylammonio)-3-carboxypropyl group at the 2-position of the the imidazole ring.
BTCP HCl
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
U93631
U93631 is a GABAA receptor ligand of novel chemical structure with IC50 of 100 nM,and has been shown to induce a rapid, time-dependent decay of GABA-induced whole-cell Cl-currents in recombinant GABAA receptors. target: GABAA receptor IC 50: GABAA receptor[1] In vitro: In the presence of U93631 at 5 UM, the peak amplitude decreased as a function of GABA concentration, with the half-maximal inhibitory concentration being approximately 100 nM, which is close to the Kd for the high affinity GABA site(85 nM). It appears that the drug interacts with GABA-bound receptors (at least monoliganded) and accelerates receptor desensitization, rather than acting as an open channel blocker. [1]