Exact Mass: 429.3216
Exact Mass Matches: 429.3216
Found 307 metabolites which its exact mass value is equals to given mass value 429.3216,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Yubeinine
Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\\% higher than that of the initial strain [1]. In vivo: Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\% higher than that of the initial strain [1]. In vivo: Yubeinine is an alkaloid with tracheal relaxant effects[1].
N-Oleoyl phenylalanine
N-oleoyl phenylalanine, also known as oleoyl-L-phe-OH belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Oleic acid amide of Phenylalanine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Oleoyl phenylalanine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Oleoyl phenylalanine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
Hexadecanedioic acid mono-L-carnitine ester
Hexadecanedioic acid mono-L-carnitine ester is an intermediate in the formation of hexadecanedioylcarnitine. Hexadecanedioic acid has been shown to be activated by ATP-Mg2+ and CoA and transported into the inner mitochondrial compartment as the mono-L-carnitine ester. (PMID: 4703570). An intermediate in the formation of hexadecanedioylcarnitine. Hexadecanedioic acid has been shown to be activated by ATP-Mg2+ and CoA and transported into the inner mitochondrial compartment as the mono-L-carnitine ester. (PMID: 4703570) [HMDB]
3-Hydroxyheptadecanoylcarnitine
3-Hydroxyheptadecanoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyheptadecanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Hydroxyheptadecanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 3-Hydroxyheptadecanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
10-Hydroxyheptadecanoylcarnitine
10-Hydroxyheptadecanoylcarnitine is an acylcarnitine. More specifically, it is an 10-hydroxyheptadecanoic 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. 10-Hydroxyheptadecanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 10-Hydroxyheptadecanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
11-Hydroxyheptadecanoylcarnitine
11-Hydroxyheptadecanoylcarnitine is an acylcarnitine. More specifically, it is an 11-hydroxyheptadecanoic 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. 11-Hydroxyheptadecanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 11-Hydroxyheptadecanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
12-Hydroxyheptadecanoylcarnitine
12-Hydroxyheptadecanoylcarnitine is an acylcarnitine. More specifically, it is an 12-hydroxyheptadecanoic 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. 12-Hydroxyheptadecanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 12-Hydroxyheptadecanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
N-Docosahexaenoyl Threonine
N-docosahexaenoyl threonine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Docosahexaenoyl amide of Threonine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Docosahexaenoyl Threonine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Docosahexaenoyl Threonine is therefore classified as a very long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
Carbamoyl cholesterol
2-[[3-[[2-(Dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline
peiminine
Imperialine is an alkaloid. Peiminine is a natural product found in Fritillaria anhuiensis, Fritillaria cirrhosa, and other organisms with data available. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids Peiminine is a natural compound with anti-inflammatory activity. Peiminine is a compound that can be isolated from Bolbostemma paniculatum (Maxim) Franquet (Cucurbitaceae family). Peiminine can induce apoptosis in human hepatocellular carcinoma HepG2 cells through both extrinsic and intrinsic apoptotic pathways. Peiminine has anti-inflammatory, anticancer, anti-osteoporosis, cardioprotective and other activities in many animal models[1][2][3][4][5][6]. Peiminine is a natural compound with anti-inflammatory activity.
Imperialin
Sipeimine is an alkaloid. Imperialine is a natural product found in Fritillaria cirrhosa, Fritillaria thunbergii, and other organisms with data available. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\% higher than that of the initial strain [1]. In vivo: Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\% higher than that of the initial strain [1]. In vivo:
(22R, 25R)-spirosol-5-ene-3beta,12beta-diol|12beta-Hydroxysolasodin|solanaviol
20alpha-Dimethylamino-3beta-(3-methyl-crotonoyloxy)-5alpha-pregnan|20alpha-Dimethylamino-3beta-<3-methyl-crotonoyloxy>-5alpha-pregnan
(22R,25S)-13alpha,21-epoxy-5,6,12,13-tetrahydro-3beta-hydroxy-5alpha-veratraman-6-one|suchengbeisine
1-linoleyl MPAP|2-hydroxy-3-(N-phenylamino)propyl linoleate
N-Oleoyl-Phenylalanine
CONFIDENCE standard compound; INTERNAL_ID 299 INTERNAL_ID 299; CONFIDENCE standard compound
sipeimine
Origin: Plant; SubCategory_DNP: Steroidal alkaloids, Veratrum alkaloids Peiminine is a natural compound with anti-inflammatory activity. Peiminine is a compound that can be isolated from Bolbostemma paniculatum (Maxim) Franquet (Cucurbitaceae family). Peiminine can induce apoptosis in human hepatocellular carcinoma HepG2 cells through both extrinsic and intrinsic apoptotic pathways. Peiminine has anti-inflammatory, anticancer, anti-osteoporosis, cardioprotective and other activities in many animal models[1][2][3][4][5][6]. Peiminine is a natural compound with anti-inflammatory activity. Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\% higher than that of the initial strain [1]. In vivo: Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\% higher than that of the initial strain [1]. In vivo:
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Hexadecanedioate
tridecyl hydrogen sulphate, compound with 2,2,2-nitrilotris[ethanol] (1:1)
3beta-Hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate
A steroid acid anion that is the conjugate base of 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoate
(3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate
(25R)-3beta-hydroxycholest-5-en-7-one-26-oate
A steroid acid anion that is the conjugate base of (25R)-3beta-hydroxycholest-5-en-7-one-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadecanoate
17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptadecanoate
(16R)-16-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptadecanoate
(17R)-17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctadecanoate
(3Z,6Z,9Z,12Z,15Z)-N-[(E)-1,3-dihydroxynon-4-en-2-yl]octadeca-3,6,9,12,15-pentaenamide
(11Z,14Z,17Z,20Z,23Z)-N-(2-hydroxyethyl)hexacosa-11,14,17,20,23-pentaenamide
(10S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
4,4-diapolycopen-4-oate
A monocarboxylic acid anion that is the conjugate base of 4,4-diapolycopen-4-oic acid; obtained by deprotonation of the carboxy group; major species at pH 7.3.
O-(15-carboxypentadecanoyl)carnitine
An O-acylcarnitine having 15-carboxypentadecanoyl as the acyl substituent.
O-hexadecanedioyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group is specified as hexadecanedioyl.
oscr#32(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#32, obtained by deprotonation of the carboxy group; major species at pH 7.3.
7alpha-Hydroxy-3-oxo-4-cholestenoate
A steroid acid anion that is the conjugate base of 7alpha-hydroxy-3-oxo-4-cholestenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3
(1s,3as,3bs,5as,7s,9ar,9bs,11as)-1-[(1s)-1-[(2s,5r)-1,5-dimethylpiperidin-2-yl]ethyl]-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
3-hydroxy-9-[1-(3-hydroxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,6h,6ah,6bh,7h,8h,9h,11h,11ah-cyclohexa[a]fluoren-5-one
(1r,2s,6s,9r,10r,11s,14s,15s,18r,20s,23r,24r)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
3-{[2-(2,3-dimethyloxiran-2-yl)-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-1-methyl-5-(sec-butyl)pyrrolidine-2,4-dione
(1s,2r,3ar,3br,7s,9ar,9bs,11s,11ar)-9a,11a-dimethyl-1-[(1s)-1-[(5s)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7,11-triol
1-[(8z,11z,14z)-heptadeca-8,11,14-trien-1-yl]-2-methyl-9h-carbazol-3-ol
(1r,2s,3as,3bs,7s,9ar,9bs,11as)-1-[(1s)-1-[(2s,5s)-1,5-dimethylpiperidin-2-yl]ethyl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7-diol
(3as,3bs,5ar,7s,9ar,9bs,11as)-1-[(1s)-1-(1,5-dimethylpiperidin-2-yl)ethyl]-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
(2r,6r,10r,18r,20s,23s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-15(24)-ene-8,20,25-triol
n-(3-{1,14-dimethyl-6-methylidene-8,16,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-10-en-17-yl}propyl)ethanimidic acid
2,3-dimethoxy-6-[(2e,5e,7e,9s,10s,11e)-10-methoxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-5-methylpyridin-4-ol
(1s,2s,3's,4s,5'r,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-3',16-diol
(3s,4as,5r,6ar,6bs,9s,10ar,11as,11br)-9-[(1s)-1-[(2r,5s)-1,5-dimethylpiperidin-2-yl]ethyl]-10a,11b-dimethyl-1h,2h,3h,4h,4ah,5h,6h,6ah,6bh,9h,10h,11h,11ah-cyclohexa[a]fluorene-3,5-diol
1-[(1e)-2-(1,5-dimethylpiperidin-2-yl)ethenyl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-5,7-diol
(2s,3as,3bs,7s,9ar,9bs,11as)-1-[(1s)-1-(1,5-dimethylpiperidin-2-yl)ethyl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7-diol
(2r,3s,4r,5r,6s)-2-{[(8s,9s,10s,10ar)-10-hydroxy-3,7,7,8,10-pentamethyl-2,4,5,8,9,10a-hexahydro-1h-3-benzazocin-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
15alpah-hydroxysolasodine
{"Ingredient_id": "HBIN001605","Ingredient_name": "15alpah-hydroxysolasodine","Alias": "NA","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31271","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15α-hydroxysolasodine
{"Ingredient_id": "HBIN001618","Ingredient_name": "15\u03b1-hydroxysolasodine","Alias": "NA","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10712","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15alpha-hydroxytomatidenol
{"Ingredient_id": "HBIN001619","Ingredient_name": "15alpha-hydroxytomatidenol","Alias": "15\u03b1-hydroxytomatidenol","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "429.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31279;10770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102093833","DrugBank_id": "NA"}
5 alpha,14 alpha-cevanine-3 beta,20 beta-dihydroxy-6-one
{"Ingredient_id": "HBIN011372","Ingredient_name": "5 alpha,14 alpha-cevanine-3 beta,20 beta-dihydroxy-6-one","Alias": "NA","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30760","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
