Exact Mass: 455.3372462

Exact Mass Matches: 455.3372462

Found 134 metabolites which its exact mass value is equals to given mass value 455.3372462, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

O-[(9Z)-17-Carboxyheptadec-9-enoyl]carnitine

3-{[(9Z)-17-carboxyheptadec-9-enoyl]oxy}-4-(trimethylammonio)butanoic acid

C25H45NO6 (455.324671)


O-[(9Z)-17-Carboxyheptadec-9-enoyl]carnitine is an acylcarnitine. More specifically, it is an octadecenedioic 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. O-[(9Z)-17-Carboxyheptadec-9-enoyl]carnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine O-[(9Z)-17-Carboxyheptadec-9-enoyl]carnitine 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].

   

(9E)-Octadec-9-enedioylcarnitine

3-[(17-Carboxyheptadec-9-enoyl)oxy]-4-(trimethylazaniumyl)butanoic acid

C25H45NO6 (455.324671)


(9E)-octadec-9-enedioylcarnitine is an acylcarnitine. More specifically, it is an (9E)-octadec-9-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (9E)-octadec-9-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (9E)-octadec-9-enedioylcarnitine 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].

   

(11E)-Octadec-11-enedioylcarnitine

3-[(17-Carboxyheptadec-11-enoyl)oxy]-4-(trimethylazaniumyl)butanoic acid

C25H45NO6 (455.324671)


(11E)-octadec-11-enedioylcarnitine is an acylcarnitine. More specifically, it is an (11E)-octadec-11-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (11E)-octadec-11-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (11E)-octadec-11-enedioylcarnitine 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].

   

(9S,10E,12Z)-9-Hydroperoxyoctadeca-10,12-dienoylcarnitine

3-[(9-hydroperoxyoctadeca-10,12-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C25H45NO6 (455.324671)


(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoylcarnitine is an acylcarnitine. More specifically, it is an (9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-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. (9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoylcarnitine 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].

   

(9Z,11E,13S)-13-Hydroperoxyoctadeca-9,11-dienoylcarnitine

3-[(13-hydroperoxyoctadeca-9,11-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C25H45NO6 (455.324671)


(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoylcarnitine is an acylcarnitine. More specifically, it is an (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-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. (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoylcarnitine 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].

   

4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol

(2S,5S,6S,15R)-5-hydroxy-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-6-carboxylate

C30H47O3 (455.3525012)


4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol can be found in a number of food items such as sorrel, blackcurrant, nutmeg, and purslane, which makes 4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol a potential biomarker for the consumption of these food products.

   

1-(3-hydroxyspirosol-5-en-28-yl)ethanone

1-(3-hydroxyspirosol-5-en-28-yl)ethanone

C29H45NO3 (455.339926)


   
   
   

1-O-linoleoyl-(2S)-O-(O-methyl-L-seryl)glycerol|neomastoidin A

1-O-linoleoyl-(2S)-O-(O-methyl-L-seryl)glycerol|neomastoidin A

C25H45NO6 (455.324671)


   
   

(3beta,16beta,17alpha,20S)-17-methyl-20-[(2S,5S)-5-methylpiperidin-2-yl]-18-norpregna-5,12-diene-3,16-diol 3-acetate|3-O-acetylveralkamine

(3beta,16beta,17alpha,20S)-17-methyl-20-[(2S,5S)-5-methylpiperidin-2-yl]-18-norpregna-5,12-diene-3,16-diol 3-acetate|3-O-acetylveralkamine

C29H45NO3 (455.339926)


   

3-hydroxylup-20(29)-en-28-amide|betulinic acid amide|betulinic amide

3-hydroxylup-20(29)-en-28-amide|betulinic acid amide|betulinic amide

C30H49NO2 (455.3763094)


   
   
   
   
   

acetylleptinidine

acetylleptinidine

C29H45NO3 (455.339926)


   
   

N-Acetylsolasodine

N-Acetylsolasodine

C29H45NO3 (455.339926)


Annotation level-1

   

O-Acetylsolasodine

O-Acetylsolasodine

C29H45NO3 (455.339926)


Annotation level-1

   

Spirosol-5-en-3-yl acetate

Spirosol-5-en-3-yl acetate

C29H45NO3 (455.339926)


Origin: Plant; Formula(Parent): C29H45NO3; Bottle Name:O-Acetylsolasodine; PRIME Parent Name:O-Acetylsolasodine; PRIME in-house No.:V0335; SubCategory_DNP: Steroidal alkaloids, Solanaceous alkaloids

   

Ile Lys Pro Val

(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S,3S)-2-amino-3-methylpentanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Ile Lys Val Pro

(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-amino-3-methylpentanamido]hexanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Ile Pro Lys Val

(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Ile Pro Val Lys

(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Ile Val Lys Pro

(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylbutanamido]hexanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Ile Val Pro Lys

(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Lys Ile Pro Val

(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2,6-diaminohexanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Lys Ile Val Pro

(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2,6-diaminohexanamido]-3-methylpentanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Lys Leu Pro Val

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Lys Leu Val Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Lys Pro Ile Val

(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Lys Pro Leu Val

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Lys Pro Val Ile

(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Lys Pro Val Leu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-4-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Lys Val Ile Pro

(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Lys Val Leu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Lys Val Pro Ile

(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Lys Val Pro Leu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Leu Lys Pro Val

(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Leu Lys Val Pro

(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Leu Pro Lys Val

(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Leu Pro Val Lys

(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Leu Val Lys Pro

(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylbutanamido]hexanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Leu Val Pro Lys

(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Ile Lys Val

(2S)-2-[(2S)-6-amino-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]hexanamido]-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Ile Val Lys

(2S)-6-amino-2-[(2S)-3-methyl-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]butanamido]hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Lys Ile Val

(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-pyrrolidin-2-ylformamido]hexanamido]-3-methylpentanamido]-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Lys Leu Val

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-pyrrolidin-2-ylformamido]hexanamido]-4-methylpentanamido]-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Lys Val Ile

(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-pyrrolidin-2-ylformamido]hexanamido]-3-methylbutanamido]-3-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Lys Val Leu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-pyrrolidin-2-ylformamido]hexanamido]-3-methylbutanamido]-4-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Leu Lys Val

(2S)-2-[(2S)-6-amino-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]hexanamido]-3-methylbutanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Leu Val Lys

(2S)-6-amino-2-[(2S)-3-methyl-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]butanamido]hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Val Ile Lys

(2S)-6-amino-2-[(2S,3S)-3-methyl-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]pentanamido]hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Val Lys Ile

(2S,3S)-2-[(2S)-6-amino-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]hexanamido]-3-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Val Lys Leu

(2S)-2-[(2S)-6-amino-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]hexanamido]-4-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Pro Val Leu Lys

(2S)-6-amino-2-[(2S)-4-methyl-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]pentanamido]hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Val Ile Lys Pro

(2S)-1-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylpentanamido]hexanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Val Ile Pro Lys

(2S)-6-amino-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Val Lys Ile Pro

(2S)-1-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Val Lys Leu Pro

(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Val Lys Pro Ile

(2S,3S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Val Lys Pro Leu

(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Val Leu Lys Pro

(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-methylpentanamido]hexanoyl]pyrrolidine-2-carboxylic acid

C22H41N5O5 (455.31075360000006)


   

Val Leu Pro Lys

(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Val Pro Ile Lys

(2S)-6-amino-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Val Pro Lys Ile

(2S,3S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Val Pro Lys Leu

(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}hexanamido]-4-methylpentanoic acid

C22H41N5O5 (455.31075360000006)


   

Val Pro Leu Lys

(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]hexanoic acid

C22H41N5O5 (455.31075360000006)


   

Ecalcidene

(5Z,7E)-(1S,3R)-24-oxo-25-aza-26,27-propano-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

C29H45NO3 (455.339926)


   

15-HETE-DA

N-(15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-dopamine

C28H41NO4 (455.30354260000007)


   

15-HETE-VA

N-(15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-vanillylamine

C28H41NO4 (455.30354260000007)


   

CAR 18:2;O2

3-{[(9Z)-17-carboxyheptadec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

C25H45NO6 (455.324671)


   

NA 28:8;O3

N-(15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-vanillylamine

C28H41NO4 (455.30354260000007)


   

LPE O-16:0;O

1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoethanolamine

C21H46NO7P (455.3011736)


   
   

Hexadecyltrimethylammonium p-toluenesulfonate

Hexadecyltrimethylammonium p-toluenesulfonate

C26H49NO3S (455.3432964000001)


   

disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate

disodium N-(2-carboxylatoethyl)-N-9-octadecenyl-beta-alaninate

C24H43NNa2O4 (455.29873180000004)


   

Felcisetrag

Felcisetrag

C25H37N5O3 (455.28962520000005)


C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Felcisetrag (TD-8954) is an orally active, potent and selective 5-HT4 receptor agonist with gastrointestinal prokinetic properties. Felcisetrag has high affinity (pKi =9.4) for human 5-HT4(c) receptors.

   
   

4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol

(2S,5S,6S,15R)-5-hydroxy-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-6-carboxylate

C30H47O3 (455.3525012)


4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol can be found in a number of food items such as sorrel, blackcurrant, nutmeg, and purslane, which makes 4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol a potential biomarker for the consumption of these food products. 4α-carboxy-stigmasta-7,24(241)-dien-3β-ol is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4α-carboxy-stigmasta-7,24(241)-dien-3β-ol can be found in a number of food items such as sorrel, blackcurrant, nutmeg, and purslane, which makes 4α-carboxy-stigmasta-7,24(241)-dien-3β-ol a potential biomarker for the consumption of these food products.

   

Oleanolate

Oleanolate

C30H47O3- (455.3525012)


A monocarboxylic acid anion that is the conjugate base of oleanolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   
   

4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol

4alpha-carboxy-stigmasta-7,24(241)-dien-3beta-ol

C30H47O3- (455.3525012)


   
   

Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-

Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-

C30H47O3- (455.3525012)


   

(3S,4S,10S,13R)-3-hydroxy-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate

(3S,4S,10S,13R)-3-hydroxy-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate

C30H47O3- (455.3525012)


   

(9E)-Octadec-9-enedioylcarnitine

(9E)-Octadec-9-enedioylcarnitine

C25H45NO6 (455.324671)


   

(11E)-Octadec-11-enedioylcarnitine

(11E)-Octadec-11-enedioylcarnitine

C25H45NO6 (455.324671)


   

(9S,10E,12Z)-9-Hydroperoxyoctadeca-10,12-dienoylcarnitine

(9S,10E,12Z)-9-Hydroperoxyoctadeca-10,12-dienoylcarnitine

C25H45NO6 (455.324671)


   

(9Z,11E,13S)-13-Hydroperoxyoctadeca-9,11-dienoylcarnitine

(9Z,11E,13S)-13-Hydroperoxyoctadeca-9,11-dienoylcarnitine

C25H45NO6 (455.324671)


   

3beta-Hydroxy-lanosta-8, 24-dien-26-oate

3beta-Hydroxy-lanosta-8, 24-dien-26-oate

C30H47O3- (455.3525012)


   

(2S,3S)-8-(1-cyclohexenyl)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

(2S,3S)-8-(1-cyclohexenyl)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

C27H41N3O3 (455.3147756000001)


   
   

4alpha-Carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol

4alpha-Carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol

C30H47O3- (455.3525012)


   

(2E)-20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]icos-2-enoate

(2E)-20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]icos-2-enoate

C26H47O6- (455.3372462)


   

(E,19R)-19-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyicos-2-enoate

(E,19R)-19-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyicos-2-enoate

C26H47O6- (455.3372462)


   
   
   
   
   
   
   
   
   
   
   
   
   

O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine

O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine

C25H45NO6 (455.324671)


An O-acylcarnitine having (9Z)-17-carboxyheptadec-9-enoyl as the acyl substituent.

   

1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoethanolamine

1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoethanolamine

C21H46NO7P (455.3011736)


   

oscr#35(1-)

oscr#35(1-)

C26H47O6 (455.3372462)


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#35, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

ascr#35(1-)

ascr#35(1-)

C26H47O6 (455.3372462)


Conjugate base of ascr#35

   
   

NA-PABA 22:2(13Z,16Z)

NA-PABA 22:2(13Z,16Z)

C29H45NO3 (455.339926)


   

NA-Phe 20:2(11Z,14Z)

NA-Phe 20:2(11Z,14Z)

C29H45NO3 (455.339926)


   
   
   
   
   

(3r,4s,5s,7r,9e,11s,12r)-12-ethyl-11-hydroxy-4-{[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy}-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione

(3r,4s,5s,7r,9e,11s,12r)-12-ethyl-11-hydroxy-4-{[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy}-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione

C24H41NO7 (455.28828760000005)


   

(2s)-2-{[(2s)-2-amino-3-methoxypropanoyl]oxy}-3-hydroxypropyl (9z,12z)-octadeca-9,12-dienoate

(2s)-2-{[(2s)-2-amino-3-methoxypropanoyl]oxy}-3-hydroxypropyl (9z,12z)-octadeca-9,12-dienoate

C25H45NO6 (455.324671)


   

1-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl}-3-{13-isopropyl-1-methyl-11-azapentacyclo[8.5.0.0²,¹².0³,⁷.0⁷,¹¹]pentadecan-2-yl}propan-1-one

1-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl}-3-{13-isopropyl-1-methyl-11-azapentacyclo[8.5.0.0²,¹².0³,⁷.0⁷,¹¹]pentadecan-2-yl}propan-1-one

C29H45NO3 (455.339926)


   

(1r,2r,3as,3bs,7s,9ar,9bs,11as)-7-hydroxy-9a,11a-dimethyl-1-[(1s)-1-[(5r)-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]phenanthren-2-yl acetate

(1r,2r,3as,3bs,7s,9ar,9bs,11as)-7-hydroxy-9a,11a-dimethyl-1-[(1s)-1-[(5r)-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]phenanthren-2-yl acetate

C29H45NO3 (455.339926)


   

2-[(2-amino-3-methoxypropanoyl)oxy]-3-hydroxypropyl octadeca-9,12-dienoate

2-[(2-amino-3-methoxypropanoyl)oxy]-3-hydroxypropyl octadeca-9,12-dienoate

C25H45NO6 (455.324671)


   

(1s,2r,4as,8ar)-1-[(3e)-5-(6-imino-1,3-dimethyl-2h-purin-7-yl)-3-methylpent-3-en-1-yl]-1,2,5,5-tetramethyl-hexahydro-2h-naphthalen-4a-ol

(1s,2r,4as,8ar)-1-[(3e)-5-(6-imino-1,3-dimethyl-2h-purin-7-yl)-3-methylpent-3-en-1-yl]-1,2,5,5-tetramethyl-hexahydro-2h-naphthalen-4a-ol

C27H45N5O (455.362392)


   

7-hydroxy-9a,11a-dimethyl-1-[1-(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]phenanthren-2-yl acetate

7-hydroxy-9a,11a-dimethyl-1-[1-(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]phenanthren-2-yl acetate

C29H45NO3 (455.339926)