Exact Mass: 313.2378718

Exact Mass Matches: 313.2378718

Found 176 metabolites which its exact mass value is equals to given mass value 313.2378718, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Heliotrine

9-Heliotrylheliotridine

C16H27NO5 (313.1889132)


Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2319 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 120 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 140 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 160 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 170 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 130 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 110 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 100 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 150

   
   

N-Palmitoylglycine

2-(Hexadecanoylamino)acetic acid

C18H35NO3 (313.26168000000007)


Palmitoylglycine is an acylglycine with C-16 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine. Palmitoylglycine is an acylglycine with C-16 fatty acid group as the acyl moiety. Palmitoylglycine (N-palmitoyl glycine), an endogenous lipid that acts as a modulator of calcium influx and nitric oxide (NO) production in sensory neurons[1].

   

9-Decenoylcarnitine

3-(dec-9-enoyloxy)-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


9-Decenoylcarnitine is an acylcarnitine. More specifically, it is an 9-decenoic 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. 9-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 9-decenoylcarnitine 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. In particular 9-decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). 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]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]

   

(4Z)-Decenoylcarnitine

3-[(4Z)-Dec-4-enoyloxy]-4-(trimethylammonio)butanoic acid

C17H31NO4 (313.2252966)


(4Z)-Decenoylcarnitine is an acylcarnitine. More specifically, it is an (4Z)-decenoic 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)-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (4Z)-decenoylcarnitine 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. In particular (4Z)-decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). 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].

   

cis-4-Decenoyl carnitine

CIS-4-DECENOYL CARNITINE

C17H31NO4 (313.2252966)


cis-4-Decenoyl carnitine is an acylcarnitine. More specifically, it is an cis-4-decenoic 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. cis-4-Decenoyl carnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine cis-4-Decenoyl carnitine 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. In particular cis-4-Decenoyl carnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). 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].

   

(6E)-8-Methylnon-6-enoylcarnitine

3-[(8-methylnon-6-enoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


(6E)-8-Methylnon-6-enoylcarnitine is an acylcarnitine. More specifically, it is an (6E)-8-methylnon-6-enoic 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. (6E)-8-Methylnon-6-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (6E)-8-Methylnon-6-enoylcarnitine 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].

   

3-Decenoylcarnitine

3-(dec-3-enoyloxy)-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


3-Decenoylcarnitine is an acylcarnitine. More specifically, it is an dec-3-enoic 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-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Decenoylcarnitine 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. In particular 3-Decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). 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].

   

6-Decenoylcarnitine

3-(dec-6-enoyloxy)-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


6-Decenoylcarnitine is an acylcarnitine. More specifically, it is an dec-6-enoic 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. 6-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-Decenoylcarnitine 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. In particular 6-Decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). 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].

   

7-Decenoylcarnitine

3-(dec-7-enoyloxy)-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


7-Decenoylcarnitine is an acylcarnitine. More specifically, it is an dec-7-enoic 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. 7-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-Decenoylcarnitine 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. In particular 7-Decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). 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].

   

5-Decenoylcarnitine

3-(dec-5-enoyloxy)-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


5-Decenoylcarnitine is an acylcarnitine. More specifically, it is an dec-5-enoic 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. 5-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Decenoylcarnitine 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. In particular 5-Decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). 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].

   

2-Decenoylcarnitine

3-(dec-2-enoyloxy)-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


2-Decenoylcarnitine is an acylcarnitine. More specifically, it is an dec-2-enoic 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. 2-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-Decenoylcarnitine 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. In particular 2-Decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). 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].

   

(8Z)-Decenoylcarnitine

3-(dec-8-enoyloxy)-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


(8Z)-Decenoylcarnitine is an acylcarnitine. More specifically, it is an (8Z)-dec-8-enoic 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. (8Z)-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (8Z)-Decenoylcarnitine 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. In particular (8Z)-Decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). 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].

   

3-Hydroxynona-4,7-dienoylcarnitine

3-[(3-hydroxynona-4,7-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C16H27NO5 (313.1889132)


3-hydroxynona-4,7-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxynona-4,7-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. 3-hydroxynona-4,7-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxynona-4,7-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].

   

3-Hydroxynona-5,7-dienoylcarnitine

3-[(3-hydroxynona-5,7-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C16H27NO5 (313.1889132)


3-hydroxynona-5,7-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxynona-5,7-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. 3-hydroxynona-5,7-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxynona-5,7-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].

   

3-Hydroxynona-4,6-dienoylcarnitine

3-[(3-Hydroxynona-4,6-dienoyl)oxy]-4-(trimethylazaniumyl)butanoic acid

C16H27NO5 (313.1889132)


3-hydroxynona-4,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxynona-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. 3-hydroxynona-4,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxynona-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].

   

N-Lauroyl Isoleucine

2-dodecanamido-3-methylpentanoic acid

C18H35NO3 (313.26168000000007)


N-lauroyl isoleucine 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 Lauric acid amide of Isoleucine. 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-Lauroyl Isoleucine 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-Lauroyl Isoleucine 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.

   

N-Lauroyl Leucine

N-Lauroyl Leucine

C18H35NO3 (313.26168000000007)


N-lauroyl leucine 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 Lauric acid amide of Leucine. 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-Lauroyl Leucine 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-Lauroyl Leucine 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.

   

(1R,9S,10R)-17-(Cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol

(1R,9S,10R)-17-(Cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol

C20H27NO2 (313.2041682)


   

1-Methyl-2-undecylquinolin-4(1H)-one

1-methyl-2-undecyl-1,4-dihydroquinolin-4-one

C21H31NO (313.2405516)


   

Decenoylcarnitine

3-hydroxy-4-oxo-3-[(trimethylazaniumyl)methyl]tridec-5-enoate

C17H31NO4 (313.2252966)


   

Gardiquimod

1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol

C17H23N5O (313.1902508)


   

Heliotron

(1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-3-methoxy-2-(propan-2-yl)butanoic acid

C16H27NO5 (313.1889132)


   

Norethindrone oxime

14-ethynyl-5-(hydroxyimino)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol

C20H27NO2 (313.2041682)


   

Ricasetron

3,3-Dimethyl-N-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}-2,3-dihydro-1H-indole-1-carboximidate

C19H27N3O (313.2154012)


   

1-Methyl-2-(9-oxodecyl)quinolin-4-one

1-Methyl-2-(9-oxodecyl)quinolin-4-one

C20H27NO2 (313.2041682)


   
   

Dogo base

2a-Hydroxynominine

C20H27NO2 (313.2041682)


   
   
   
   

8-Isocyanatocycloamphilect-10-ene

8-Isocyanatocycloamphilect-10-ene

C21H31NO (313.2405516)


   
   
   
   
   
   
   

1-Methyl-2-undecylquinolin-4(1H)-one

1-Methyl-2-undecylquinolin-4(1H)-one

C21H31NO (313.2405516)


   

2-amino-1,3,4-trihydroxy-octadecane-6,8-diene

2-amino-1,3,4-trihydroxy-octadecane-6,8-diene

C18H35NO3 (313.26168000000007)


   

1-Methyl-2-(9-oxodecyl)quinoline-4(1H)-one

1-Methyl-2-(9-oxodecyl)quinoline-4(1H)-one

C20H27NO2 (313.2041682)


   

16,17-didehydro-panamine|Ormojanin

16,17-didehydro-panamine|Ormojanin

C20H31N3 (313.2517846)


   
   
   

(2S,3R)-2-acetamido-3-acetoxy-tetradecane|diacetyl xestoaminol C|N,O-diacetyl xestoaminol C

(2S,3R)-2-acetamido-3-acetoxy-tetradecane|diacetyl xestoaminol C|N,O-diacetyl xestoaminol C

C18H35NO3 (313.26168000000007)


   

retronecine (S)-2-hydroxy-2-((S)-1-hydroxyethyl)-4-methyl-pentanoyl ester|Retronecine 2S-hydroxy-2S-(1S-hydroxyethyl)-4-methylpentanoyl ester

retronecine (S)-2-hydroxy-2-((S)-1-hydroxyethyl)-4-methyl-pentanoyl ester|Retronecine 2S-hydroxy-2S-(1S-hydroxyethyl)-4-methylpentanoyl ester

C16H27NO5 (313.1889132)


   

3-hydroxy-2-hydroxymethyl-6-(8-oxododecyl)piperidine

3-hydroxy-2-hydroxymethyl-6-(8-oxododecyl)piperidine

C18H35NO3 (313.26168000000007)


   
   
   
   

(20S)-20-Aminopregna-1,4-dien-3-one|20-Aminopregna-1,4-dien-3-one

(20S)-20-Aminopregna-1,4-dien-3-one|20-Aminopregna-1,4-dien-3-one

C21H31NO (313.2405516)


   

Retronecine 9-O-curassavate

Retronecine 9-O-curassavate

C16H27NO5 (313.1889132)


   

(n-Undecanon-10)-2-chinolon-4|2-(10-oxo-undecyl)-1H-quinolin-4-one|2-(10-Oxoundecyl)-4(1H)-quinolinone

(n-Undecanon-10)-2-chinolon-4|2-(10-oxo-undecyl)-1H-quinolin-4-one|2-(10-Oxoundecyl)-4(1H)-quinolinone

C20H27NO2 (313.2041682)


   

3-hydro xy-2-hydroxymethyl-6-(7-oxododecyl)piperidine

3-hydro xy-2-hydroxymethyl-6-(7-oxododecyl)piperidine

C18H35NO3 (313.26168000000007)


   
   
   
   
   
   
   
   

1-methyl-2-undecylquinolin-4-one

4(1H)-Quinolinone, 1-methyl-2-undecyl-

C21H31NO (313.2405516)


1-Methyl-2-undecylquinolin-4(1H)-one is a natural product found in Ruta graveolens with data available.

   

1-methyl-2-undecylquinolin-4-one

NCGC00347386-02!1-methyl-2-undecylquinolin-4-one

C21H31NO (313.2405516)


   

Dehydrophytosphingosine (not validated) - 2H

Dehydrophytosphingosine (not validated) - 2H

C18H35NO3 (313.26168000000007)


Annotation level-3

   

1-methyl-2-undecylquinolin-4-one [IIN-based on: CCMSLIB00000847478]

NCGC00347386-02!1-methyl-2-undecylquinolin-4-one [IIN-based on: CCMSLIB00000847478]

C21H31NO (313.2405516)


   

1-methyl-2-undecylquinolin-4-one [IIN-based: Match]

NCGC00347386-02!1-methyl-2-undecylquinolin-4-one [IIN-based: Match]

C21H31NO (313.2405516)


   
   
   

N-Palmitoylglycine

N-(1-oxohexadecyl)-glycine

C18H35NO3 (313.26168000000007)


Palmitoylglycine (N-palmitoyl glycine), an endogenous lipid that acts as a modulator of calcium influx and nitric oxide (NO) production in sensory neurons[1].

   

CAR 10:1

(Z)-dec-4-enoylcarnitine;3-[(4Z)-dec-4-enoyloxy]-4-(trimethylammonio)butanoate;cis-4-decenoylcarnitine

C17H31NO4 (313.2252966)


   

EMA-1

N-hexadecanoyl-glycine

C18H35NO3 (313.26168000000007)


   
   

Oxilorphan

Oxilorphan

C20H27NO2 (313.2041682)


D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist

   

1-BOC-3-(3-MORPHOLIN-4-YL-PROPYLAMINO)-PYRROLIDINE

1-BOC-3-(3-MORPHOLIN-4-YL-PROPYLAMINO)-PYRROLIDINE

C16H31N3O3 (313.23652960000004)


   
   

5-METHYL-N2-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDINE-2,4-DIAMINE

5-METHYL-N2-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDINE-2,4-DIAMINE

C17H23N5O (313.1902508)


   

(17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile

(17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile

C20H27NO2 (313.2041682)


   

Fenalcomine

Fenalcomine

C20H27NO2 (313.2041682)


C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent

   

Light Stabilizer 622

Light Stabilizer 622

C17H31NO4 (313.2252966)


   

Vetrabutine

Dmophebumine

C20H27NO2 (313.2041682)


C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

   

tert-Butyl 3-(2-(tert-butoxy)-2-oxoethyl)-4-oxopiperidine-1-carboxylate

tert-Butyl 3-(2-(tert-butoxy)-2-oxoethyl)-4-oxopiperidine-1-carboxylate

C16H27NO5 (313.1889132)


   

(S)-ethyl 2-(tert-butoxycarbonylamino)-5-oxonon-8-enoate

(S)-ethyl 2-(tert-butoxycarbonylamino)-5-oxonon-8-enoate

C16H27NO5 (313.1889132)


   

N-Dodecanoyl-4-hydroxy-L-proline

N-Dodecanoyl-4-hydroxy-L-proline

C17H31NO4 (313.2252966)


   

13-Ethyl-17-hydroxy-18,19-dinorpregn-5(10)-en-20-yn-3-one

13-Ethyl-17-hydroxy-18,19-dinorpregn-5(10)-en-20-yn-3-one

C21H29O2 (313.2167434)


   
   

2,2,4,9,9,11-hexamethyltetraaza-14-crown-4 hydrate

2,2,4,9,9,11-hexamethyltetraaza-14-crown-4 hydrate

C12H33N4O5 (313.2450828)


   
   

tert-butyl 4-(3-(ethoxycarbonyl)-2-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-(3-(ethoxycarbonyl)-2-oxopropyl)piperidine-1-carboxylate

C16H27NO5 (313.1889132)


   

4-(Cyclohexyliminomethyl)benzeneboronic acid pinacol ester

4-(Cyclohexyliminomethyl)benzeneboronic acid pinacol ester

C19H28BNO2 (313.2212978)


   

Indisetron

Indisetron

C17H23N5O (313.1902508)


C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist

   

5-[(4-Aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-A]pyrimidine-3-carbonitrile

5-[(4-Aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-A]pyrimidine-3-carbonitrile

C16H23N7 (313.2014838)


   

(1R,9S,10R)-17-(Cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol

(1R,9S,10R)-17-(Cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol

C20H27NO2 (313.2041682)


   

[(8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate

[(8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate

C16H27NO5 (313.1889132)


   

9,10-Epoxy-18-hydroxystearate

9,10-Epoxy-18-hydroxystearate

C18H33O4- (313.2378718)


   

12,13-DiHOME(1-)

12,13-DiHOME(1-)

C18H33O4- (313.2378718)


A monounsaturated fatty acid anion that is the conjugate base of 12,13-DiHOME, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(8E,10S)-10-Hydroperoxy-8-octadecenoate

(8E,10S)-10-Hydroperoxy-8-octadecenoate

C18H33O4- (313.2378718)


An unsaturated fatty acid anion that is the conjugate base of (8E,10S)-10-hydroperoxy-8-octadecenoic acid, obtained by deprotonation of the carboxy group.

   

3-[(E)-dec-4-enoyl]oxy-4-(trimethylazaniumyl)butanoate

3-[(E)-dec-4-enoyl]oxy-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


   
   

(E)-3-hydroxy-4-oxo-3-[(trimethylazaniumyl)methyl]tridec-5-enoate

(E)-3-hydroxy-4-oxo-3-[(trimethylazaniumyl)methyl]tridec-5-enoate

C17H31NO4 (313.2252966)


   

2-Decenoyl carnitine

2-Decenoyl carnitine

C17H31NO4 (313.2252966)


   

Norethindrone oxime

Norethindrone oxime

C20H27NO2 (313.2041682)


   

3-Decenoylcarnitine

3-[(E)-dec-3-enoyl]oxy-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


3-Decenoylcarnitine is an acylcarnitine. More specifically, it is an dec-3-enoic 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 (PMID: 35710135 ), 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-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Decenoylcarnitine 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. In particular 3-Decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392 ). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852 ) and familial mediterranean fever (PMID: 29900937 ). 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 (PMID: 35710135 ).

   

6-Decenoylcarnitine

6-Decenoylcarnitine

C17H31NO4 (313.2252966)


   

7-Decenoylcarnitine

7-Decenoylcarnitine

C17H31NO4 (313.2252966)


   

5-Decenoylcarnitine

5-Decenoylcarnitine

C17H31NO4 (313.2252966)


   

(8Z)-Decenoylcarnitine

(8Z)-Decenoylcarnitine

C17H31NO4 (313.2252966)


   

3-Hydroxynona-4,7-dienoylcarnitine

3-Hydroxynona-4,7-dienoylcarnitine

C16H27NO5 (313.1889132)


   

3-Hydroxynona-5,7-dienoylcarnitine

3-Hydroxynona-5,7-dienoylcarnitine

C16H27NO5 (313.1889132)


   

3-Hydroxynona-4,6-dienoylcarnitine

3-Hydroxynona-4,6-dienoylcarnitine

C16H27NO5 (313.1889132)


   

(6E)-8-Methylnon-6-enoylcarnitine

(6E)-8-Methylnon-6-enoylcarnitine

C17H31NO4 (313.2252966)


   

(3R)-3-[(Z)-dec-4-enoyl]oxy-4-(trimethylazaniumyl)butanoate

(3R)-3-[(Z)-dec-4-enoyl]oxy-4-(trimethylazaniumyl)butanoate

C17H31NO4 (313.2252966)


   

Norajmaline(1+)

Norajmaline(1+)

C19H25N2O2+ (313.191593)


An organic cation obtained by protonation of the tertiary amino group of norajmaline; major structure at pH 7.3.

   
   

3-Butyl-5-(4-morpholinylmethyl)-2-oxo-3-oxolanecarboxylic acid ethyl ester

3-Butyl-5-(4-morpholinylmethyl)-2-oxo-3-oxolanecarboxylic acid ethyl ester

C16H27NO5 (313.1889132)


   

10-hydroperoxy-8E-octadecenoate

10-hydroperoxy-8E-octadecenoate

C18H33O4- (313.2378718)


A hydroperoxy fatty acid anion resulting from the deprotonation of the carboxy group of 10-hydroperoxy-8E-octadecenoic acid. The major species at pH 7.3.

   

(12Z)-9,10-Dihydroxyoctadec-12-enoate

(12Z)-9,10-Dihydroxyoctadec-12-enoate

C18H33O4- (313.2378718)


   

9-hydroperoxy-10E-octadecenoate

9-hydroperoxy-10E-octadecenoate

C18H33O4- (313.2378718)


A hydroperoxy fatty acid anion resulting from the deprotonation of the carboxy group of 9-hydroperoxy-10E-octadecenoic acid. The major species at pH 7.3.

   

1-cyclohexyl-N-(3-methylbutyl)-5-benzimidazolecarboxamide

1-cyclohexyl-N-(3-methylbutyl)-5-benzimidazolecarboxamide

C19H27N3O (313.2154012)


   

(9Z,12R)-12,18-dihydroxyoctadecenoate

(9Z,12R)-12,18-dihydroxyoctadecenoate

C18H33O4- (313.2378718)


A hydroxy fatty acid anion that is the conjugate base of (9Z,12R)-12,18-dihydroxyoctadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(9R,10S)-18-Hydroxy-9,10-epoxystearate

(9R,10S)-18-Hydroxy-9,10-epoxystearate

C18H33O4- (313.2378718)


   

7-methyl-3-(4-morpholinyl)-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-methyl-3-(4-morpholinyl)-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C17H23N5O (313.1902508)


   

2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoic acid [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester

2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoic acid [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester

C16H27NO5 (313.1889132)


   

(9S,10R)-9,10-epoxy-18-hydroxystearate

(9S,10R)-9,10-epoxy-18-hydroxystearate

C18H33O4- (313.2378718)


   

(2R,9Z)-2-hydroperoxyoctadecenoate

(2R,9Z)-2-hydroperoxyoctadecenoate

C18H33O4- (313.2378718)


   

1-[(1-Tert-butyl-5-tetrazolyl)-phenylmethyl]-4-methylpiperidine

1-[(1-Tert-butyl-5-tetrazolyl)-phenylmethyl]-4-methylpiperidine

C18H27N5 (313.2266342)


   

4-(1-piperazinyl)-N,N-dipropyl-2-quinazolinamine

4-(1-piperazinyl)-N,N-dipropyl-2-quinazolinamine

C18H27N5 (313.2266342)


   

Dehydrophytosphingosine (not validated)-2H

Dehydrophytosphingosine (not validated)-2H

C18H35NO3 (313.26168000000007)


   
   
   

trans-Methoxymycolate

trans-Methoxymycolate

C18H33O4- (313.2378718)


   

17-Hydroxy-9,10-epoxystearate

17-Hydroxy-9,10-epoxystearate

C18H33O4- (313.2378718)


   

(8R)-hydroperoxy-(9Z)-octadecenoate

(8R)-hydroperoxy-(9Z)-octadecenoate

C18H33O4- (313.2378718)


   

(10R)-hydroperoxy-(8E)-octadecenoate

(10R)-hydroperoxy-(8E)-octadecenoate

C18H33O4- (313.2378718)


   

N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]acetamide

N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]acetamide

C18H35NO3 (313.26168000000007)


   

N-[(E)-1,3-dihydroxynon-4-en-2-yl]nonanamide

N-[(E)-1,3-dihydroxynon-4-en-2-yl]nonanamide

C18H35NO3 (313.26168000000007)


   

N-[(E)-1,3-dihydroxytridec-4-en-2-yl]pentanamide

N-[(E)-1,3-dihydroxytridec-4-en-2-yl]pentanamide

C18H35NO3 (313.26168000000007)


   

(2S,3R,4E)-2-Butyrylamino-4-tetradecene-1,3-diol

(2S,3R,4E)-2-Butyrylamino-4-tetradecene-1,3-diol

C18H35NO3 (313.26168000000007)


   

N-[(E)-1,3-dihydroxyundec-4-en-2-yl]heptanamide

N-[(E)-1,3-dihydroxyundec-4-en-2-yl]heptanamide

C18H35NO3 (313.26168000000007)


   

N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]propanamide

N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]propanamide

C18H35NO3 (313.26168000000007)


   

N-[(E)-1,3-dihydroxydec-4-en-2-yl]octanamide

N-[(E)-1,3-dihydroxydec-4-en-2-yl]octanamide

C18H35NO3 (313.26168000000007)


   

N-[(E)-1,3-dihydroxydodec-4-en-2-yl]hexanamide

N-[(E)-1,3-dihydroxydodec-4-en-2-yl]hexanamide

C18H35NO3 (313.26168000000007)


   

N-[(E)-1,3-dihydroxyoct-4-en-2-yl]decanamide

N-[(E)-1,3-dihydroxyoct-4-en-2-yl]decanamide

C18H35NO3 (313.26168000000007)


   

9,10-Epoxy-18-hydroxyoctadecanoate

9,10-Epoxy-18-hydroxyoctadecanoate

C18H33O4 (313.2378718)


An omega-hydroxy fatty acid anion that is the conjugate base of 18-hydroxy-9,10-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

   

9-Decenoylcarnitine

9-Decenoylcarnitine

C17H31NO4 (313.2252966)


   

cis-4-Decenoylcarnitine

cis-4-Decenoylcarnitine

C17H31NO4 (313.2252966)


   

9,10-DiHOME(1-)

9,10-DiHOME(1-)

C18H33O4 (313.2378718)


A monounsaturated fatty acid anion that is the conjugate base of 9,10-DiHOME, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate

(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate

C18H33O4 (313.2378718)


A 9,10-epoxy-18-hydroxyoctadecanoate that is the conjugate base of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

   

O-decenoylcarnitine

O-decenoylcarnitine

C17H31NO4 (313.2252966)


An O-acylcarnitine in which the acyl group is specified as decenoyl (position of double bond not specified).

   

O-decenoyl-L-carnitine

O-decenoyl-L-carnitine

C17H31NO4 (313.2252966)


An O-acyl-L-carnitine that is L-carnitine having decenoyl group as the acyl substituent in which the position of the double bond is unspecified.

   

N-hexadecanoylglycine

N-hexadecanoylglycine

C18H35NO3 (313.26168000000007)


An N-acylglycine in which the acyl group is specified as hexadecanoyl (palmitoyl).

   

(9R,10S)-9,10-Epoxy-18-hydroxyoctadecanoate

(9R,10S)-9,10-Epoxy-18-hydroxyoctadecanoate

C18H33O4 (313.2378718)


A 9,10-epoxy-18-hydroxyoctadecanoate that is the conjugate base of (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

   

O-[(4Z)-decenoyl]carnitine

O-[(4Z)-decenoyl]carnitine

C17H31NO4 (313.2252966)


An O-decenoylcarnitine having (4Z)-decenoyl as the acyl substituent.

   
   
   
   

n-{[8,11-bis(prop-2-en-1-yl)-1,7-diazatetracyclo[7.2.1.0²,⁷.0⁶,¹¹]dodecan-5-ylidene]methyl}ethanimidic acid

n-{[8,11-bis(prop-2-en-1-yl)-1,7-diazatetracyclo[7.2.1.0²,⁷.0⁶,¹¹]dodecan-5-ylidene]methyl}ethanimidic acid

C19H27N3O (313.2154012)


   

hexahydro-1h-pyrrolizin-1-ylmethyl 2,3-dihydroxy-2-(2-methylpropyl)pentanoate

hexahydro-1h-pyrrolizin-1-ylmethyl 2,3-dihydroxy-2-(2-methylpropyl)pentanoate

C17H31NO4 (313.2252966)


   

(7as)-1-({[(2r)-2-hydroxy-2-[(1r)-1-methoxyethyl]-3-methylbutanoyl]oxy}methyl)-5,6,7,7a-tetrahydro-3h-pyrrolizin-4-ium-4-olate

(7as)-1-({[(2r)-2-hydroxy-2-[(1r)-1-methoxyethyl]-3-methylbutanoyl]oxy}methyl)-5,6,7,7a-tetrahydro-3h-pyrrolizin-4-ium-4-olate

C16H27NO5 (313.1889132)


   

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-13,19-diol

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-13,19-diol

C20H27NO2 (313.2041682)


   

5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadec-6-ene-13,17-diol

5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadec-6-ene-13,17-diol

C20H27NO2 (313.2041682)


   

(1s,2r,5s,8r,9s,11r,13r,14s,16s,17r,18r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,13-diol

(1s,2r,5s,8r,9s,11r,13r,14s,16s,17r,18r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,13-diol

C20H27NO2 (313.2041682)


   

(1s,5s,8r,9s,11r,13s,14s,17r,18r)-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadec-6-ene-13,17-diol

(1s,5s,8r,9s,11r,13s,14s,17r,18r)-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadec-6-ene-13,17-diol

C20H27NO2 (313.2041682)


   

5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadec-6-ene-13,18-diol

5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadec-6-ene-13,18-diol

C20H27NO2 (313.2041682)


   

7,19,23-triazahexacyclo[9.9.1.1¹,¹³.1²,⁶.0⁷,²¹.0¹⁴,¹⁹]tricos-11-ene

7,19,23-triazahexacyclo[9.9.1.1¹,¹³.1²,⁶.0⁷,²¹.0¹⁴,¹⁹]tricos-11-ene

C20H31N3 (313.2517846)


   

(1r,3s,5r,8r,9s,11r,13r,14s,16s,17r,18s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,13-diol

(1r,3s,5r,8r,9s,11r,13r,14s,16s,17r,18s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,13-diol

C20H27NO2 (313.2041682)


   

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylpentanoate

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylpentanoate

C16H27NO5 (313.1889132)