Exact Mass: 461.3141

Exact Mass Matches: 461.3141

Found 40 metabolites which its exact mass value is equals to given mass value 461.3141, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

(5Z,8Z,10E,14Z,17Z)-12-Hydroxyicosa-5,8,10,14,17-pentaenoylcarnitine

3-[(12-hydroxyicosa-5,8,10,14,17-pentaenoyl)oxy]-4-(trimethylazaniumyl)butanoate

C27H43NO5 (461.3141)


(5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoylcarnitine is an acylcarnitine. More specifically, it is an (5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic 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. (5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoylcarnitine 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].

   
   
   
   

2,5-Piperazinedione, 3-[[2-(1,1-dimethyl-2-propenyl)-5,7-bis(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-6-methyl-, (3S,6S)-

2,5-Piperazinedione, 3-[[2-(1,1-dimethyl-2-propenyl)-5,7-bis(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-6-methyl-, (3S,6S)-

C29H39N3O2 (461.3042)


   
   
   

4alpha,7alpha-oxa-5,6-dihydro-14alpha-hydroxyveramarine|neogermine

4alpha,7alpha-oxa-5,6-dihydro-14alpha-hydroxyveramarine|neogermine

C27H43NO5 (461.3141)


   

echinulin

echinuline

C29H39N3O2 (461.3042)


An indole alkaloid with formula C29H39N3O2. It is a fungal metabolite found in several Aspergillus species.

   

Methylbenzethonium chloride

METHYL BENZETHONIUM CHLORIDE

C28H44ClNO2 (461.306)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents

   

OCTYLCRESOXYETHOXYETHYL DIMETHYL-BENZYL AMMONIUM CHLORIDE

OCTYLCRESOXYETHOXYETHYL DIMETHYL-BENZYL AMMONIUM CHLORIDE

C28H44ClNO2 (461.306)


   

(3S,10R,13R)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione

(3S,10R,13R)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione

C27H43NO5 (461.3141)


   

(5Z,8Z,10E,14Z,17Z)-12-Hydroxyicosa-5,8,10,14,17-pentaenoylcarnitine

(5Z,8Z,10E,14Z,17Z)-12-Hydroxyicosa-5,8,10,14,17-pentaenoylcarnitine

C27H43NO5 (461.3141)


   

(E)-3-hydroxy-2-(tridecanoylamino)undec-4-ene-1-sulfonic acid

(E)-3-hydroxy-2-(tridecanoylamino)undec-4-ene-1-sulfonic acid

C24H47NO5S (461.3175)


   

(E)-3-hydroxy-2-(undecanoylamino)tridec-4-ene-1-sulfonic acid

(E)-3-hydroxy-2-(undecanoylamino)tridec-4-ene-1-sulfonic acid

C24H47NO5S (461.3175)


   

3-hydroxy-2-[[(Z)-tetradec-9-enoyl]amino]decane-1-sulfonic acid

3-hydroxy-2-[[(Z)-tetradec-9-enoyl]amino]decane-1-sulfonic acid

C24H47NO5S (461.3175)


   

(E)-3-hydroxy-2-(tetradecanoylamino)dec-4-ene-1-sulfonic acid

(E)-3-hydroxy-2-(tetradecanoylamino)dec-4-ene-1-sulfonic acid

C24H47NO5S (461.3175)


   

(E)-2-(dodecanoylamino)-3-hydroxydodec-4-ene-1-sulfonic acid

(E)-2-(dodecanoylamino)-3-hydroxydodec-4-ene-1-sulfonic acid

C24H47NO5S (461.3175)


   

3-hydroxy-2-[[(Z)-tridec-9-enoyl]amino]undecane-1-sulfonic acid

3-hydroxy-2-[[(Z)-tridec-9-enoyl]amino]undecane-1-sulfonic acid

C24H47NO5S (461.3175)


   

(E)-2-(decanoylamino)-3-hydroxytetradec-4-ene-1-sulfonic acid

(E)-2-(decanoylamino)-3-hydroxytetradec-4-ene-1-sulfonic acid

C24H47NO5S (461.3175)


   

PF 1163B

PF 1163B

C27H43NO5 (461.3141)


A macrolide antibiotic that is 4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione substituted by a 4-(2-hydroxyethoxy)benzyl group at position 3 and a pentyl group at position 13 (the 3S,10R,13S stereoisomer). It is isolated from Penicillium sp.PF1163 and exhibits antifungal activity against the pathogenic fungal strain Candida albicans TIMM1768.

   

NA-DOPA 18:1(9Z)

NA-DOPA 18:1(9Z)

C27H43NO5 (461.3141)


   

NA-Glu 22:4(7Z,10Z,13Z,16Z)

NA-Glu 22:4(7Z,10Z,13Z,16Z)

C27H43NO5 (461.3141)


   
   

ST 25:2;O3;Gly

ST 25:2;O3;Gly

C27H43NO5 (461.3141)


   

(3s,6s)-3-{[5,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

(3s,6s)-3-{[5,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

C29H39N3O2 (461.3042)


   

3-{[4-(2-hydroxyethoxy)phenyl]methyl}-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione

3-{[4-(2-hydroxyethoxy)phenyl]methyl}-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione

C27H43NO5 (461.3141)


   

7,11,19-trimethyl-26-oxa-13-azaheptacyclo[21.2.1.0²,¹⁸.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0¹⁹,²⁴]hexacosane-3,5,7,22-tetrol

7,11,19-trimethyl-26-oxa-13-azaheptacyclo[21.2.1.0²,¹⁸.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0¹⁹,²⁴]hexacosane-3,5,7,22-tetrol

C27H43NO5 (461.3141)


   

(3r,6s)-3-{[5,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

(3r,6s)-3-{[5,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

C29H39N3O2 (461.3042)


   

(1r,2s,3s,5s,6r,7s,8s,11s,15s,16s,18s,19r,22s,23s,24s)-7,11,19-trimethyl-26-oxa-13-azaheptacyclo[21.2.1.0²,¹⁸.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0¹⁹,²⁴]hexacosane-3,5,7,22-tetrol

(1r,2s,3s,5s,6r,7s,8s,11s,15s,16s,18s,19r,22s,23s,24s)-7,11,19-trimethyl-26-oxa-13-azaheptacyclo[21.2.1.0²,¹⁸.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0¹⁹,²⁴]hexacosane-3,5,7,22-tetrol

C27H43NO5 (461.3141)


   

(3s,10r,13r)-3-{[4-(2-hydroxyethoxy)phenyl]methyl}-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione

(3s,10r,13r)-3-{[4-(2-hydroxyethoxy)phenyl]methyl}-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione

C27H43NO5 (461.3141)


   

3-{[4,5-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

3-{[4,5-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

C29H39N3O2 (461.3042)


   

(3s,5s,6as,6bs,9r,11as,11bs)-3,5,9-trihydroxy-9-[(1r)-1-[(2s,3r,5s)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,5h,6h,6ah,6bh,7h,8h,11ah-cyclohexa[a]fluoren-11-one

(3s,5s,6as,6bs,9r,11as,11bs)-3,5,9-trihydroxy-9-[(1r)-1-[(2s,3r,5s)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,5h,6h,6ah,6bh,7h,8h,11ah-cyclohexa[a]fluoren-11-one

C27H43NO5 (461.3141)


   

8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-decahydro-1h-pyrido[1,2-b]isoquinolin-7-one

8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-decahydro-1h-pyrido[1,2-b]isoquinolin-7-one

C27H43NO5 (461.3141)


   

(3s,4as,5s,6as,6bs,9r,11as,11bs)-3,5,9-trihydroxy-9-[(1r)-1-[(2s,3r,5s)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,5h,6h,6ah,6bh,7h,8h,11ah-cyclohexa[a]fluoren-11-one

(3s,4as,5s,6as,6bs,9r,11as,11bs)-3,5,9-trihydroxy-9-[(1r)-1-[(2s,3r,5s)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,5h,6h,6ah,6bh,7h,8h,11ah-cyclohexa[a]fluoren-11-one

C27H43NO5 (461.3141)


   

(3s,6s)-3-{[6,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

(3s,6s)-3-{[6,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

C29H39N3O2 (461.3042)


   

3,5,9-trihydroxy-9-[1-(3-hydroxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,5h,6h,6ah,6bh,7h,8h,11ah-cyclohexa[a]fluoren-11-one

3,5,9-trihydroxy-9-[1-(3-hydroxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,5h,6h,6ah,6bh,7h,8h,11ah-cyclohexa[a]fluoren-11-one

C27H43NO5 (461.3141)


   

3-{[5,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

3-{[5,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

C29H39N3O2 (461.3042)


   

3-{[6,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

3-{[6,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

C29H39N3O2 (461.3042)


   

(3s,6s)-3-{[4,5-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

(3s,6s)-3-{[4,5-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol

C29H39N3O2 (461.3042)