Exact Mass: 283.1383778
Exact Mass Matches: 283.1383778
Found 500 metabolites which its exact mass value is equals to given mass value 283.1383778,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Crotonosid
C10H13N5O5 (283.09166480000005)
Crotonoside is a purine nucleoside. Crotonoside is a natural product found in Croton tiglium with data available. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 26 Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1]. Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1]. Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1].
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
Morphinone
Morphinone is a very strong opioid. It is an intermediary substance in synthesises of semi-synthetic opioids, e.g. Naloxone and Naltrexone and Oxycodone. [HMDB]. Morphinone is found in many foods, some of which are bean, kombu, winter squash, and brassicas. Morphinone is a very strong opioid. It is an intermediary substance in synthesises of semi-synthetic opioids, e.g. Naloxone and Naltrexone and Oxycodone. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
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.
Acrophylline
A quinoline alkaloid that is furo[2,3-b]quinolin-4-one bearing additional 3,3-dimethylallyl and methoxy substituents at positions 9 and 7 respectively.
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.
2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide
C14H21NO3S (283.12420760000003)
N-(p-Hydroxyphenyl)ethyl p-hydroxycinnamide
Trans-N-p-coumaroyl tyramine is a hydroxycinnamic acid. It has a role as a metabolite. p-Coumaroyltyramine is a natural product found in Ophiopogon japonicus, Polyalthia suberosa, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of); Ipomoea aquatica leaf (part of). Constituent of Chinese onion (Allium chinense) and broad bean (Vicia faba). N-(p-Hydroxyphenyl)ethyl p-hydroxycinnamide is found in onion-family vegetables and pulses. N-p-cis-Coumaroyltyramine is found in onion-family vegetables. N-p-cis-Coumaroyltyramine is a constituent of Chinese onion Allium chinense. A natural product found particularly in Solanum melongena and Asimina triloba. N-p-trans-Coumaroyltyramine is a cinnamoylphenethyl amide isolated from polygonum hyrcanicum, acts as an acetylcholinesterase (AChE) inhibitor with an an IC50 of 122 μM. N-p-trans-Coumaroyltyramine exhibits anti-trypanosomal activity with an IC50 of 13.3 μM for T. brucei rhodesiense[1][2]. N-p-trans-Coumaroyltyramine is a cinnamoylphenethyl amide isolated from polygonum hyrcanicum, acts as an acetylcholinesterase (AChE) inhibitor with an an IC50 of 122 μM. N-p-trans-Coumaroyltyramine exhibits anti-trypanosomal activity with an IC50 of 13.3 μM for T. brucei rhodesiense[1][2].
2-[Methyl(3-phenylpropanoyl)amino]benzoic acid
2-[Methyl(3-phenylpropanoyl)amino]benzoic acid is produced by the marine Streptomyces sp. B7747.
N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide
N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide is found in fruits. N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide is an alkaloid from the leaves of Aegle marmelos (bael
Anaxagoreine
Anaxagoreine is an alkaloid from Cananga odorata (ylang ylang Alkaloid from Cananga odorata (ylang ylang)
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-Phenylacetylphenylalanine
N-Phenylacetylphenylalanine (PAP) is a peptide analogue used as a potential antisickling agent. This biaromatic agent has properties that make it a suitable candidate for the development of a useful therapeutic agent for the treatment of sickle cell disease. (PMID: 3663644, 6587344) [HMDB] N-Phenylacetylphenylalanine (PAP) is a peptide analogue used as a potential antisickling agent. This biaromatic agent has properties that make it a suitable candidate for the development of a useful therapeutic agent for the treatment of sickle cell disease. (PMID: 3663644, 6587344).
8-Hydroxy-deoxyguanosine
C10H13N5O5 (283.09166480000005)
8-hydroxy-deoxyguanosine (8-OHdG) is a sensitive marker of the DNA damage due to hydroxyl radical attack at the C8 of guanine. This damage, if left unrepaired, has been proposed to contribute to mutagenicity and cancer promotion. 8-OHdG has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). 8-hydroxy-deoxyguanosine (8-OHdG) is a sensitive marker of the DNA damage due to hydroxyl radical attack at the C8 of guanine. This damage, if left unrepaired, has been proposed to contribute to mutagenicity and cancer promotion. [HMDB] 8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis. 8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis.
7-Methylinosine
7-Methylinosine is an endogenous methylated nucleoside found in human fluids; methylated purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls.DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. When a chemical bonds to DNA, the DNA becomes damaged, and proper and complete replication cannot occur to make the normal intended cell. A DNA adduct is an abnormal piece of DNA covalently-bonded to a cancer-causing chemical. This has shown to be the start of a cancerous cell, or carcinogenesis. DNA adducts in scientific experiments are used as bio-markers and as such are themselves measured to reflect quantitatively, for comparison, the amount of cancer in the subject. 7-Methylguanosine has been identified in human urine and serum. (PMID: 3506820, 17044778, 17264127, 16799933, 15906010).
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
9-beta-d-Arabinofuranosylguanine
C10H13N5O5 (283.09166480000005)
8-Hydroxy-2-desoxyguanosine
C10H13N5O5 (283.09166480000005)
1-(1,3-Benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
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
Atglistatin
Atglistatin is a selective adipose triglyceride lipase (ATGL) inhibitor which inhibits lipolysis with an IC50 of 0.7 μM in vitro.
Cariporide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
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)
hydroxydeoxyguanosine
C10H13N5O5 (283.09166480000005)
reparixin
C14H21NO3S (283.12420760000003)
3-[4-(2-Methylpropyl)phenyl]-2-oxobutane-1-sulfonamide
C14H21NO3S (283.12420760000003)
1-[(2R,5R)-4-Azidooxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
C10H13N5O5 (283.09166480000005)
2-Amino-9-[(2R,4S,5R)-5-(hydroperoxymethyl)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
C10H13N5O5 (283.09166480000005)
Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)-
C16H17N3S (283.11431220000003)
p-coumaroyltyramine
P-coumaroyltyramine belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. P-coumaroyltyramine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). P-coumaroyltyramine can be found in a number of food items such as small-leaf linden, mamey sapote, pepper (c. frutescens), and beech nut, which makes P-coumaroyltyramine a potential biomarker for the consumption of these food products.
Furo(2,3-b)quinoline, 4-methoxy-7-((3-methyl-2-butenyl)oxy)-
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 2-cyano-2-[2-(3-phenyl-1H-pyrazol-5-yl)hydrazono]acetate
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
salinosporamide C
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3-Methyl-1-[3-(2-hydroxy-3-methyl-3-butenyl)-1H-indol-5-yl]-2-buten-1-one
3-(3,4-Dihydroxyphenyl)-N-(2-phenylethyl)prop-2-enamide
8(1,1-dimethylallyl)-confusameline|8-(1,1-Dimethy-2-propenyl)-4-methoxyfuro[2,3-b]quinolin-7-ol
(2E,4E)-N-(p-hydroxyphenylethyl)-2,4-decadien-9-ynamide|acmelline
2,2-Dimethyl-3-[5-(3-methyl-2-butenoyl)-1H-indol-3-yl]propanal
1-O-(2-aminobenzoyl)-alpha-L-rhamnoside|2-aminobenzoyl alpha-L-rhamnopyranoside
dimethyl 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]butanedioate
Furo(2,3-b)quinolin-7-ol, 4-methoxy-8-(3-methyl-2-butenyl)-
(S)-Sparsiflorine|2-Methoxy-6aalpha-aporphan-1,10-diol|2-methoxy-6aalpha-aporphane-1,10-diol|Sparsiflorin|sparsiflorine
7-Aminoflunitrazepam
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3719 CONFIDENCE standard compound; INTERNAL_ID 1596
8-oxo-2-Deoxyguanosine
C10H13N5O5 (283.09166480000005)
8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis. 8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis.
Guanosine
C10H13N5O5 (283.09166480000005)
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; NYHBQMYGNKIUIF_STSL_0162_Guanosine_0500fmol_180430_S2_LC02_MS02_164; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.; MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040 Guanosine (DL-Guanosine) is a purine nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine possesses anti-HSV activity. Guanosine (DL-Guanosine) is a purine nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine possesses anti-HSV activity. Guanosine (DL-Guanosine) is a purine nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine possesses anti-HSV activity.
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
C17H17NO3_Phenylalanine, N-benzoyl-, methyl ester
Crotonoside
C10H13N5O5 (283.09166480000005)
Purines Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1]. Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1]. Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1].
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
Morphinone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
His-lys
C12H21N5O3 (283.16443160000006)
A dipeptide formed from L-histidine and L-lysine residues.
Lys-his
C12H21N5O3 (283.16443160000006)
Anaxagoreine
Paprazine
N-p-trans-Coumaroyltyramine is a cinnamoylphenethyl amide isolated from polygonum hyrcanicum, acts as an acetylcholinesterase (AChE) inhibitor with an an IC50 of 122 μM. N-p-trans-Coumaroyltyramine exhibits anti-trypanosomal activity with an IC50 of 13.3 μM for T. brucei rhodesiense[1][2]. N-p-trans-Coumaroyltyramine is a cinnamoylphenethyl amide isolated from polygonum hyrcanicum, acts as an acetylcholinesterase (AChE) inhibitor with an an IC50 of 122 μM. N-p-trans-Coumaroyltyramine exhibits anti-trypanosomal activity with an IC50 of 13.3 μM for T. brucei rhodesiense[1][2].
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
Boc-(R)- 3-Amino-3-(3-fluorophenyl)-propionic acid
Afloqualone
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D002491 - Central Nervous System Agents D003879 - Dermatologic Agents Afloqualone (HQ-495) is a GABAergic agent and has agonist activity at the β subtype of the?GABAα receptor. Afloqualone has antivertiginous effects thought to be attributable to the increased sensitivity of GABA receptors of the LVN neuron site[1].
N-(4-METHOXY-2-HYDROXYBENZYLIDENE)-4-N-BUTYLANILINE
(S)-(+)-(2-BUTENOYL)-2 10-CAMPHORSULTAM
C14H21NO3S (283.12420760000003)
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)
2-(4-(DIMETHYLCARBAMOYL)-[1,1-BIPHENYL]-4-YL)ACETIC ACID
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile
TERT-BUTYL 4-CHLORO-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE
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
methyl 3-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxylate
10-ethyl-8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione
3-BENZYLPIPERIDINE-3-ETHYLCARBOXYLATE HYDROCHLORIDE
5-((tert-Butyldimethylsilyloxy)methyl)-2,3-dimethoxypyridine
(3S,4S)-METHYL 1-METHYL-4-(NAPHTHALEN-2-YL)PIPERIDINE-3-CARBOXYLATE
[4-(trifluoromethyl)pyrrolidine]-1,3-dicarboxylic acid 1-tert-butyl ester
1-Tert-Butyl 4-Methyl 4-Allylpiperidine-1,4-Dicarboxylate
tert-butyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylate
[4-(Cyclohexylsulfamoyl)phenyl]boronic acid
C12H18BNO4S (283.10495380000003)
boc-(s)-3-amino-3-(2-fluoro-phenyl)-propionic acid
4-(Bromomethyl)-2,6-di-tert-butylpyridine
C14H22BrN (283.09355120000004)
Benzeneacetic acid, a-[[(phenylmethyl)amino]methyl]-,ethyl ester
6-((tert-Butyldimethylsilyloxy)methyl)-2,3-dimethoxypyridine
3-(Methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C12H18BNO4S (283.10495380000003)
boc-(r)-3-amino-3-(2-fluoro-phenyl)-propionic acid
2-(Methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C12H18BNO4S (283.10495380000003)
(5-(TERT-BUTOXYCARBONYL)-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDIN-2-YL)BORONIC ACID
C12H18BNO4S (283.10495380000003)
9-(1-benzothiophen-2-yl)-3-azaspiro[5.5]undec-9-ene
[3-(Cyclohexylsulfamoyl)phenyl]boronic acid
C12H18BNO4S (283.10495380000003)
1-[2-(4-METHOXY-PHENOXY)-ETHYL]-1H-BENZOIMIDAZOL-2-YLAMINE
Uracil,6-amino-5-(2-diethylaminoacetamido)-1,3-dimethyl- (6CI)
C12H21N5O3 (283.16443160000006)
3-[(3-methoxyphenyl)methyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
Tedatioxetine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
6-(3-METHOXYPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
Benzenesulfonamide-3-Boronic Acid Pinacol Ester
C12H18BNO4S (283.10495380000003)
3-[2-(2-METHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL]-PROPAN-1-OL
3-Piperidinecarboxylicacid, 4-oxo-1-phenyl-, ethyl ester, hydrochloride (1:1)
(S)-METHYL 2-(DIPHENYLMETHYLENEAMINO)-3-HYDROXYPROPANOATE
N-HYDROXY-6-(4-METHOXYPHENYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXIMIDAMIDE
2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinemethanol
Beloxamide
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
2-methyl-5-(piperidin-1-ylsulfonyl)phenylboronic acid
C12H18BNO4S (283.10495380000003)
5,6-dimethoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one
(S)-Ethyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
ETHYL 3-(4-BENZOYL-1-METHYL-1H-PYRROL-2-YL)ACRYLATE
(N-Crotonyl)-(2R)-bornane-10,2-sultam
C14H21NO3S (283.12420760000003)
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
3-[(tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
3-[(tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid
1-ISOPROPYL-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
7-PHENYL-1-PROPYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
diethyl 2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-c]pyrrole-6,8-dicarboxylate
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
Methyl 3-(2-amino-4-pyrimidinyl)-1-methyl-1H-pyrrolo[2,3-b]pyridi ne-4-carboxylate
Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
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
1-[2-(4-FLUOROPHENOXY)ETHYL]-1H-INDOLE-3-CARBALDEHYDE
methyl 4-((tert-butoxycarbonyl)amino)bicyclo[2.2.2]octane-1-carboxylate
N-cyclopentyl-5-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
2-Piperidineacetic acid, α-phenyl-, ethyl ester, hydrochloride (), (αS,2S)
4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER
C12H18BNO4S (283.10495380000003)
2-CYANO-3-(TRIFLUOROMETHYL)PHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER
(R)-(-)-(2-Methylacryloyl)-2,10-camphorsultam
C14H21NO3S (283.12420760000003)
(S)-(+)-(2-Methylacryloyl)-2,10-camphorsultam
C14H21NO3S (283.12420760000003)
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
2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetic acid
ethyl 6-{[(tert-butoxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylate
1-[2-AMINO-4-(PHENYLMETHOXY)-3-PROPYLPHENYL]-ETHANONE
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
(2-Methyl-4-(piperidin-1-ylsulfonyl)phenyl)boronic acid
C12H18BNO4S (283.10495380000003)
(2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-(TRIFLUOROMETHYL)PYRROLIDINE-2-CARBOXYLIC ACID
[2-(methacryloyloxy)ethyl]trimethylammonium methyl sulphate
boc-(s)-3-amino-3-(3-fluoro-phenyl)-propionic acid
(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
reparixin
C14H21NO3S (283.12420760000003)
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Nerispirdine
C17H18FN3 (283.14846800000004)
C26170 - Protective Agent > C1509 - Neuroprotective Agent
N-(3-Phenoxycinnamyl)acetohydroxamic acid
D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors
3-(3,4-Dihydroxyphenyl)-N-phenethylpropenamide, (E)-
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
2-[(Dimethylamino)methyl]-3-hydroxy-4-methyl-6-benzo[c][1]benzopyranone
4-Phenyl-2-(piperidin-1-yl)pyrimidine-5-carboxylic acid
5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol
2-Ethyl-5,8-dimethoxy-1,3,4,9-tetraaza-1H-phenalene-7-carbonitrile
Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
2-(2-Hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
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
2-[Methyl(3-phenylpropanoyl)amino]benzoic acid
2-[Methyl(3-phenylpropanoyl)amino]benzoic acid is produced by the marine Streptomyces sp. B7747. Production by the marine Streptomyces species B7747.
3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
7-Methylinosine
A positively charged methylinosine in which a single methyl substituent is located at position 7 on the hypoxanthine ring.
Dehydrocoformycin(1+)
An iminium ion obtained by selective protonation at position 4 on the diazepin ring of dehydrocoformycin. It is thought to be the major species at pH 7.3.
N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid
(4R)-11-hydroxy-10-methoxy-5-azaspiro[cyclohexane-1,2-tricyclo[6.3.1.04,12]dodecane]-(12),2,5,8,10-pentaen-4-one
7-Methyl-6-oxo-9-(D-ribofuranosyl)-6,7-dihydro-3H-purin-9-ium
[(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.
3-(4-Fluorophenyl)-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
N-tert-butyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
(E)-2-cyano-3-(2,5-dimethyl-1H-pyrrol-3-yl)-N-(2-fluorophenyl)prop-2-enamide
Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester
1-(2-Furanylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
N-methyl-N-phenylcarbamic acid (4-tert-butylphenyl) ester
2-(2,5-dioxo-4-imidazolidinyl)-N-(1-naphthalenyl)acetamide
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
4-(3-Methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
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
6-ethyl-2-methyl-N-(phenylmethyl)-4-thieno[2,3-d]pyrimidinamine
C16H17N3S (283.11431220000003)
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
(3S,4R,5S)-5-methyl-2,3-diphenyl-4-isoxazolidinecarboxylic acid
ethyl 2-cyano-2-[(5-phenyl-1H-pyrazol-3-yl)hydrazinylidene]acetate
(4R,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
4-[acetyl(methyl)amino]-N-(2-aminophenyl)benzamide
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-2-(1H-imidazol-4-yl)ethyl]amino}-5-oxopentanoate
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-isocyanoaniline
C16H17N3S (283.11431220000003)
2-[(2S)-2-[(2R)-2-morpholinyl]-2-phenylethyl]phenol
[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-fluorobenzoate
N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine
2-[5-amino-4-(cyanomethanimidoyl)-1H-imidazol-1-yl]-3-phenylpropanoic acid
2-Trimethylsilyloxy-3-pyridinecarboxylic acid trimethylsilyl ester
C12H21NO3Si2 (283.10599160000004)
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.
gamma-Glu-His(1-)
A peptide anion that is the conjugate base of gamma-Glu-His, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
Heclin
Heclin is a HECT E3 ubiquitin ligases inhibitor. Heclin inhibits Smurf2, Nedd4, WWP1 (IC50 values are 6.8, 6.3, 6.9 μM) and can be used for the research of gastric cancer[1][2][3].
