Exact Mass: 283.1743502
Exact Mass Matches: 283.1743502
Found 327 metabolites which its exact mass value is equals to given mass value 283.1743502,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Metolachlor
CONFIDENCE standard compound; INTERNAL_ID 988; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9405; ORIGINAL_PRECURSOR_SCAN_NO 9403 CONFIDENCE standard compound; INTERNAL_ID 988; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9416; ORIGINAL_PRECURSOR_SCAN_NO 9412 CONFIDENCE standard compound; INTERNAL_ID 988; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9435; ORIGINAL_PRECURSOR_SCAN_NO 9432 CONFIDENCE standard compound; INTERNAL_ID 988; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9411; ORIGINAL_PRECURSOR_SCAN_NO 9409 CONFIDENCE standard compound; INTERNAL_ID 988; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9432; ORIGINAL_PRECURSOR_SCAN_NO 9430 CONFIDENCE standard compound; INTERNAL_ID 988; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9555; ORIGINAL_PRECURSOR_SCAN_NO 9554 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1082 CONFIDENCE standard compound; EAWAG_UCHEM_ID 268 CONFIDENCE standard compound; INTERNAL_ID 4040 CONFIDENCE standard compound; INTERNAL_ID 8418 CONFIDENCE standard compound; INTERNAL_ID 3556 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Levallorphan
An opioid antagonist with properties similar to those of naloxone; in addition it also possesses some agonist properties. It should be used cautiously; levallorphan reverses severe opioid-induced respiratory depression but may exacerbate respiratory depression such as that induced by alcohol or other non-opioid central depressants. (From Martindale, The Extra Pharmacopoeia, 30th ed, p683) D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist
Amabiline
Amabiline 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. Amabiline is soluble (in water) and a very weakly acidic compound (based on its pKa). Amabiline can be found in borage, which makes amabiline a potential biomarker for the consumption of this food product.
Histrionicotoxin
An azaspiro compound that is 1-azaspiro[5.5]undecane substituted by a hydroxy group at position 8, a but-1-en-3-yn-1-yl group at position 7 and a pent-3-en-1-yn-5-yl group at position 2 (the 2S,6R,7S,8S stereoisomer).
brevianamide F
A pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione bearing an indol-3-ylmethyl substituent at position 3 (the 3S,8aS-diastereomer, obtained by formal cyclocondensation of L-tryptophan and L-proline). Brevianamide F (Cyclo(L-Pro-L-Trp)) is a mycotoxin isolated from Colletotrichum gloeosporioides, with antibacterial activity. Brevianamide F shows potent PI3Kα inhibitory activity with an IC50 of 4.8 μM[1][2].
Supinine
Supinine is also known as spinin. Supinine is soluble (in water) and a very weakly acidic compound (based on its pKa). Supinine can be found in borage, which makes supinine a potential biomarker for the consumption of this food product.
alpha-Hydroxymetoprolol
alpha-Hydroxymetoprolol is a metabolite of metoprolol. Metoprolol is a selective β1 receptor blocker used in treatment of several diseases of the cardiovascular system, especially hypertension. The active substance metoprolol is employed either as metoprolol succinate or metoprolol tartrate (where 100 mg metoprolol tartrate corresponds to 95 mg metoprolol succinate). The tartrate is an immediate-release and the succinate is an extended-release formulation. (Wikipedia)
Lysylhistidine
C12H21N5O3 (283.16443160000006)
Lysylhistidine is a dipeptide composed of lysine and histidine. 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.
Glutaminylhistidine
Glutaminylhistidine is a dipeptide composed of glutamine and histidine. 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.
Histidylglutamine
Histidylglutamine is a dipeptide composed of histidine and glutamine. 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.
Histidyllysine
C12H21N5O3 (283.16443160000006)
Histidyllysine is a dipeptide composed of histidine and lysine. 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.
N-Dealkylated tolterodine
N-Dealkylated tolterodine is only found in individuals that have used or taken tolterodine. N-Dealkylated tolterodine is a metabolite of tolterodine. N-Dealkylated tolterodine belongs to the family of Diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Histidinyl-Gamma-glutamate
Histidinyl-Gamma-glutamate is a dipeptide composed of histidine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Cadralazine
C12H21N5O3 (283.16443160000006)
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent Cadralazine is an antihypertensive of the hydrazinophthalazine chemical class. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Octa-2,6-dienoylcarnitine
octa-2,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an octa-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. octa-2,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine octa-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].
Octa-3,6-dienoylcarnitine
octa-3,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an octa-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. octa-3,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine octa-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].
(4Z,6Z)-Octa-4,6-dienoylcarnitine
(4Z,6Z)-octa-4,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an (4Z,6Z)-octa-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)-octa-4,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (4Z,6Z)-octa-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].
Octa-2,5-dienoylcarnitine
octa-2,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an octa-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. octa-2,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine octa-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].
Octa-2,4-dienoylcarnitine
octa-2,4-dienoylcarnitine is an acylcarnitine. More specifically, it is an octa-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. octa-2,4-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine octa-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].
Octa-3,5-dienoylcarnitine
octa-3,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an octa-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. octa-3,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine octa-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-Methyl-2-hydroadenosine
Amonafide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
(2S)-(+)-5-(1,3,5-Trimethylpyrazol-4-YL)-2-(dimethylamino)tetralin
Atglistatin
Atglistatin is a selective adipose triglyceride lipase (ATGL) inhibitor which inhibits lipolysis with an IC50 of 0.7 μM in vitro.
Dazmegrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Histidinyl-Lysine
C12H21N5O3 (283.16443160000006)
Tesmilifene
C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
2,3-Dimethoxy-6-methyl-5,6,7,8-tetrahydrodibenzo[c,e]azocine
3,4-Dihydroxy-5-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-2-methanol
Ethyl 5-amino-4-cyano-3-methyl-1-(4-methylphenyl)-1H-pyrrole-2-carboxylate
N1-(5,6-Dimethyl-2,3-dihydro-1H-benzo[d]imidazol-2-yliden)oct-2-ynamide
3-Methyl-1-[3-(2-hydroxy-3-methyl-3-butenyl)-1H-indol-5-yl]-2-buten-1-one
(2E,4E,12Z)-3-Methylbutylamide-2,4,12-Tetradecatriene-8,10-diynoic aci
(2E,4E)-N-(p-hydroxyphenylethyl)-2,4-decadien-9-ynamide|acmelline
tetradeca-2E,4E,6E,10E-tetraen-8-ynoic acid piperidide
2,2-Dimethyl-3-[5-(3-methyl-2-butenoyl)-1H-indol-3-yl]propanal
1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione
3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
C12-homoserine lactone
CONFIDENCE standard compound; INTERNAL_ID 205
1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione [IIN-based on: CCMSLIB00000846771]
1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione [IIN-based: Match]
S-METOLACHLOR
CONFIDENCE standard compound; INTERNAL_ID 1143; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9430; ORIGINAL_PRECURSOR_SCAN_NO 9428 CONFIDENCE standard compound; INTERNAL_ID 1143; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9444; ORIGINAL_PRECURSOR_SCAN_NO 9443 CONFIDENCE standard compound; INTERNAL_ID 1143; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9451; ORIGINAL_PRECURSOR_SCAN_NO 9449 CONFIDENCE standard compound; INTERNAL_ID 1143; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9483; ORIGINAL_PRECURSOR_SCAN_NO 9478 CONFIDENCE standard compound; INTERNAL_ID 1143; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9509; ORIGINAL_PRECURSOR_SCAN_NO 9507 CONFIDENCE standard compound; INTERNAL_ID 1143; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9489; ORIGINAL_PRECURSOR_SCAN_NO 9487 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 1143; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9489; ORIGINAL_PRECURSOR_SCAN_NO 9487
Propoxyphene carbinol
(2S,6R,7S,8S)-7-((E)-but-1-en-3-yn-1-yl)-2-((E)-pent-2-en-4-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol
His-lys
C12H21N5O3 (283.16443160000006)
A dipeptide formed from L-histidine and L-lysine residues.
Lys-his
C12H21N5O3 (283.16443160000006)
Cadralazine
C12H21N5O3 (283.16443160000006)
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
N-(4-METHOXY-2-HYDROXYBENZYLIDENE)-4-N-BUTYLANILINE
1,2-Ethanediamine,N1-(phenylmethyl)-N2-[2-[(phenylmethyl)amino]ethyl]-
cis-2-Benzylaminomethyl-1-cyclooctanol hydrochloride
Naxagolide hydrochloride
C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
N-[5-(2-methylsulfanylethoxy)pyrimidin-2-yl]hexanamide
C13H21N3O2S (283.13544060000004)
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile
6,7-DIMETHOXY-2-METHYL-4-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
(2-(4-METHYL-2-PHENYLPIPERAZIN-1-YL)PYRIDIN-3-YL)METHANOL
2-(TERT-BUTOXYCARBONYL)DECAHYDROISOQUINOLINE-6-CARBOXYLIC ACID
3-BENZYLPIPERIDINE-3-ETHYLCARBOXYLATE HYDROCHLORIDE
5-((tert-Butyldimethylsilyloxy)methyl)-2,3-dimethoxypyridine
(3S,4S)-METHYL 1-METHYL-4-(NAPHTHALEN-2-YL)PIPERIDINE-3-CARBOXYLATE
1-Tert-Butyl 4-Methyl 4-Allylpiperidine-1,4-Dicarboxylate
tert-butyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylate
Benzeneacetic acid, a-[[(phenylmethyl)amino]methyl]-,ethyl ester
6-((tert-Butyldimethylsilyloxy)methyl)-2,3-dimethoxypyridine
9-(1-benzothiophen-2-yl)-3-azaspiro[5.5]undec-9-ene
1-[2-(4-METHOXY-PHENOXY)-ETHYL]-1H-BENZOIMIDAZOL-2-YLAMINE
Uracil,6-amino-5-(2-diethylaminoacetamido)-1,3-dimethyl- (6CI)
C12H21N5O3 (283.16443160000006)
Tedatioxetine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
3-[2-(2-METHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL]-PROPAN-1-OL
(3S,5S)-5-((1S,3S)-1-AZIDO-4-HYDROXY-3-ISOPROPYLBUTYL)-DIHYDRO-3-ISOPROPYLFURAN-2(3H)-ONE
Quaternary ammonium compounds, benzyl-C12-14-alkyldimethyl, chlorides
C17H30ClN (283.20666500000004)
2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinemethanol
Beloxamide
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
1-Butanol,2-[bis(phenylmethyl)amino]-3-methyl-, (2S)-
(S)-Ethyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
2-Methyl-2-propanyl 3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]decan e-7-carboxylate
2-Methyl-2-propanyl 2,4-dioxo-3-oxa-9-azaspiro[5.5]undecane-9-car boxylate
Ethyl (8-ethyl-8-methyl-9-oxa-2-azaspiro[5.5]undec-2-yl)acetate
2-amino-n-furan-2-ylmethyl-3-(1h-indol-3-yl)-propionamide
p-methoxycinnamic acid, compound with 2,2-iminodiethanol (1:1)
4-AMINO-1-TERT-BUTYL-3-(2-HYDROXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Meperidine Hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
methyl 4-((tert-butoxycarbonyl)amino)bicyclo[2.2.2]octane-1-carboxylate
N-cyclopentyl-5-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
(E)-tert-butyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)allyl)carbamate
2-Piperidineacetic acid, α-phenyl-, ethyl ester, hydrochloride (), (αS,2S)
2-[(tert-butoxy)carbonyl]-2-azaspiro[4.5]decane-7-carboxylic acid
ETHYL (2Z)-3-AMINO-4,4,4-TRICHLORO-2-CYANOBUT-2-ENOATE
(E)-tert-Butyl 4-(2-ethoxy-2-oxoethylidene)azepane-1-carboxylate
ethyl 6-{[(tert-butoxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylate
1-[2-AMINO-4-(PHENYLMETHOXY)-3-PROPYLPHENYL]-ETHANONE
benzyldimethyloctylammonium chloride
C17H30ClN (283.20666500000004)
Boronic acid, B-[3-fluoro-4-[3-(4-morpholinyl)propoxy]phenyl]-
Oxtriphylline
C12H21N5O3 (283.16443160000006)
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
3-trimethylsilylmethyl-4-trimethylsilyl-n-tert-butylcrotonaldimine
C15H33NSi2 (283.21514179999997)
(4R,4aR,7aS,12bS)-3,7-dimethyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol
ethyl 2-phenyl-2-piperidin-2-ylacetate,hydrochloride
N-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
(3S,4R)-1-tert-Butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid
6-Benzyloxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Nerispirdine
C17H18FN3 (283.14846800000004)
C26170 - Protective Agent > C1509 - Neuroprotective Agent
2-[4-(Dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium
2-Methoxy-6-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
5-methyl-8-(tetrahydro-2-furanylmethyl)-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile
4-Phenyl-2-(piperidin-1-yl)pyrimidine-5-carboxylic acid
5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol
3-(4-Amino-1-tert-butyl-1H-pyrazolo[3,4-D]pyrimidin-3-YL)phenol
Amonafide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
Dazmegrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid
[(8R)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Ala-Gly-His
A tripeptide composed of L-alanine, glycine, and L-histidine joined in sequence by peptide linkages.
N-tert-butyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
N-methyl-N-phenylcarbamic acid (4-tert-butylphenyl) ester
3-(5-Tert-butyl-1,2,4-oxadiazol-3-ylidene)-7-methyl-2-quinolinone
1-(1-Benzotriazolyl)-3-(2-methylphenoxy)-2-propanol
2-Amino-9-ethyl-3-pyrido[2,3-b]indolecarboxylic acid ethyl ester
1-(2,3-Dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione
11-Cyclohexyl-12-oxa-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide
1-(2,5-Dimethoxyphenyl)-1-[(trimethylsilyl)oxy]propan-2-amine
[(2R,3S,6S)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol
4-[acetyl(methyl)amino]-N-(2-aminophenyl)benzamide
[(2S,3S,6S)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2R,3R,6R)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2S,3S,6R)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2R,3R,6S)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol
2-[(2S)-2-[(2R)-2-morpholinyl]-2-phenylethyl]phenol
4-Spiro-(N-methylpiperidyl)-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline
N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]acetamide
N-[(4E,8E)-1,3-dihydroxytrideca-4,8-dien-2-yl]propanamide
N-[(4E,8E)-1,3-dihydroxydodeca-4,8-dien-2-yl]butanamide
3-(1-Methyl-3-piperiden-4-yl)-2-(2-methyl-2-aminopropyl)indole
3-(3-Methyl-3-piperiden-4-yl)-2-(2-methyl-2-aminopropyl)indole
levallorphan
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist
Tesmilifene
C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
metolachlor
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Amabiline
A carboxylic ester obtained by formal condensation of the carboxy group of (2S,3S)-2,3-dihydroxy-2-isopropylbutanoic acid with the hydroxy group of (7aS)-2,3,5,7a-tetrahydropyrrolizin-7-ylmethanol.
4-methyl-2-[(1R)-1-phenyl-3-(propan-2-ylamino)propyl]phenol
Benzeneethanol, alpha-[2-(dimethylamino)-1-methylethyl]-alpha-phenyl-
AS19
AS19 is a potent, selective 5-HT7 receptor agonist with an IC50 value of 0.83 nM and a Ki of 0.6 nM. AS19 is selective for 5-HT7 over 5-HT1A, 5-HT1B, 5-HT1D, and 5-HT5A receptors (Kis = 89.7 nM, 490 nM, 6.6 nM and 98.5 nM, respectively). AS19 enhances memory consolidation and reverses Scopolamine- or Dizocilpine-induced amnesia[1][2][3].