Exact Mass: 315.16418020000003
Exact Mass Matches: 315.16418020000003
Found 85 metabolites which its exact mass value is equals to given mass value 315.16418020000003,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Alizapride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
Alizapride
Alizapride is only found in individuals that have used or taken this drug. It is a dopamine antagonist with prokinetic and antiemetic effects used in the treatment of nausea and vomiting, including postoperative nausea and vomiting.The anti-emetic action of Alizapride is due to its antagonist activity at D2 receptors in the chemoreceptor trigger zone (CTZ) in the central nervous system (CNS)—this action prevents nausea and vomiting triggered by most stimuli. Structurally similar to metoclopramide and, therefore, shares similar other atributres related to emesis and prokinetics. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
Rotigotine
Rotigotine (Neupro) is a non-ergoline dopamine agonist indicated for the treatment of Parkinsons disease (PD) and restless legs syndrome (RLS) in Europe and the United States. It is formulated as a once-daily transdermal patch which provides a slow and constant supply of the drug over the course of 24 hours. Like other dopamine agonists, rotigotine has been shown to possess antidepressant effects and may be useful in the treatment of depression as well. Rotigotine was developed by Aderis Pharmaceuticals. In 1998, Aderis licensed worldwide development and commercialization rights for rotigotine to the German pharmaceutical company Schwarz Pharma (today a subsidiary of the Belgian company UCB S.A.). The drug has been approved by the EMEA for use in Europe in 2006 and is today being sold in several European countries. In 2007, the Neupro patch was approved by the Food and Drug Administration (FDA) as the first transdermal treatment of Parkinsons disease in the United States. However, as of 2008, Schwarz Pharma has recalled all Neupro patches in the United States and some in Europe because of problems with the delivery mechanism. Rotigotine has been authorized as a treatment for RLS since August 2008. D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
(6Z)-Oct-6-enedioylcarnitine
(6Z)-oct-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an (6Z)-oct-6-enedioic 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. (6Z)-oct-6-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (6Z)-oct-6-enedioylcarnitine 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].
Oct-4-enedioylcarnitine
oct-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an oct-4-enedioic 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. oct-4-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine oct-4-enedioylcarnitine 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].
Oct-5-enedioylcarnitine
oct-5-enedioylcarnitine is an acylcarnitine. More specifically, it is an oct-5-enedioic 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. oct-5-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine oct-5-enedioylcarnitine 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].
(2E)-Oct-2-enedioylcarnitine
(2E)-oct-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-oct-2-enedioic 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. (2E)-oct-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-oct-2-enedioylcarnitine 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].
Indicine-N-oxide
2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester|leptanthine
NCI60_000712
Indicine N-oxide is a natural product found in Tournefortia argentea with data available. Indicine-N-Oxide is a natural pyrrolizidine alkaloid with antineoplastic properties. Indicine-N-oxide alkylates and crosslinks DNA. (NCI04)
Rinderine N-oxide
Echinatine oxide
Lycopsamine N-oxide
Lycopsamine N-oxide is a natural product found in Symphytum officinale, Neatostema apulum, and Idea leuconoe with data available.
Safranin
Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2561; CONFIDENCE confident structure
Safranine
Acquisition and generation of the data is financially supported in part by CREST/JST.
C17H21N3O3_10b-Hydroxy-3-isobutyl-6,10b,11,11a-tetrahydro-2H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
Rotigotine
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Rotigotine is a potent dopamine receptor agonist with Ki values of 0.71?nM, 4-15?nM, and 83?nM for the dopamine D3 receptor and D2, D5, D4 receptors and dopamine D1 receptor. Rotigotine a partial agonist of the 5-HT1A receptor, and an antagonist of the α2B-adrenergic receptor. Rotigotine can be used for parkinson's disease (PD) research[1][2][3][4].
1-BENZYL-2-(2-(1-METHYL-1H-PYRROL-2-YL)ETHYL)-1H-BENZO[D]IMIDAZOLE
N-BOC-AMINO-(1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ACETICACID
DIETHYL 2-(1-(TERT-BUTOXYCARBONYL)AZETIDIN-3-YL)MALONATE
diphenyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
6-[propyl(2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
tert-butyl 3-(quinoxalin-2-yloxy)pyrrolidine-1-carboxylate
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-(3-methoxyphenyl)-1-piperazinyl]-
TERT-BUTYL 3-OXO-2-PHENYL-2,3,4,5-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-6(7H)-CARBOXYLATE
Moxisylyte hydrochloride
C16H26ClNO3 (315.16011160000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Moxisylyte (hydrochloride) is (alpha 1-blocker) antagonist, it can vasodilates cerebral vessels without reducing blood pressure. It is also used locally in the eye to reverse the mydriasis caused by phenylephrine and other sympathomimetic agents. [1][2]
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
C17H22BNO4 (315.16418020000003)
(2E)-2-(1,3-BENZOTHIAZOL-2-YL)-3-[4-(DIMETHYLAMINO)PHENYL]ACRYLONITRILE
8-CHLORO-6,11-DIHYDRO-11-(4-PIPERIDINYLIDENE)-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE-D5
2-(3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)propyl)isoindoline-1,3-dione
C17H22BNO4 (315.16418020000003)
5-Amino-1-Boc-3,4,5,6-tetrahydro-2H-[2,4]bipyridinyl hydrochloride
1-(1-Ethoxycarbonyl-4-piperidinyl)-4-phenyl-4-imidazolin-2-one
4,4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline)
(4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate
2-oxo-1,4-dihydroquinazoline-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
N-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide
1,3-Dimethyl-5-[1-(1-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione
N-(3,7-dimethyl-2,6-octadien-1-ylidene)-4-nitrobenzohydrazide
N-cycloheptyl-3-(5,7-dioxo-6-pyrrolo[3,4-b]pyridinyl)propanamide
(5-Methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
[(E)-1-[5-(3-methylbutoxymethyl)-2-oxooxolan-3-yl]propan-2-ylideneamino]thiourea
(2E)-7-carboxyhept-2-enoylcarnitine
An O-acylcarnitine having (2E)-7-carboxyhept-2-enoyl as the acyl substituent.
2,4-Diisopropyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione
(±)-Rotigotine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
O-octenedioylcarnitine
An O-acylcarnitine obtained by formal condensation of one of the carboxy groups of any octenedioic acid with the hydroxy group of carnitine.
gibberellin A9(1-)
A gibberellin carboxylic acid anion that is the conjugate base of gibberellin A9, obtained by deprotonation of the carboxy group; major species at pH 7.3.