Exact Mass: 404.4017942

Exact Mass Matches: 404.4017942

Found 65 metabolites which its exact mass value is equals to given mass value 404.4017942, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

SCHEMBL16226521

5alpha-Cholestan-5alpha,6beta-diol

C27H48O2 (404.36541079999995)


   

3a,7a-Dihydroxy-5b-cholestane

(1S,2S,5R,7S,9R,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9-diol

C27H48O2 (404.36541079999995)


3alpha,7alpha-Dihydroxy-5beta-cholestane is an intermediate in bile acid synthesis. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). 3alpha,7alpha-Dihydroxy-5beta-cholestane is an intermediate in bile acid synthesis. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135) [HMDB]

   

5-Heneicosyl-1,3-benzenediol

5-Heneicosyl-1,3-benzenediol

C27H48O2 (404.36541079999995)


Constituent of wheat bran. 5-Heneicosyl-1,3-benzenediol is found in many foods, some of which are breakfast cereal, oat, rye bread, and cereals and cereal products. 5-Heneicosyl-1,3-benzenediol is found in barley. 5-Heneicosyl-1,3-benzenediol is a constituent of wheat bran

   

Lepidiumterpenoid

(1E)-5-hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pentadec-1-en-7-one

C27H48O2 (404.36541079999995)


Lepidiumterpenoid is found in brassicas. Lepidiumterpenoid is a constituent of Lepidium sativum (garden cress). Constituent of Lepidium sativum (garden cress). Lepidiumterpenoid is found in brassicas.

   

(22alpha)-hydroxy-cholestanol

14-(3-hydroxy-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol

C27H48O2 (404.36541079999995)


(22alpha)-hydroxy-cholestanol belongs to dihydroxy bile acids, alcohols and derivatives class of compounds. Those are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups (22alpha)-hydroxy-cholestanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22alpha)-hydroxy-cholestanol can be found in a number of food items such as caraway, bayberry, burdock, and cowpea, which makes (22alpha)-hydroxy-cholestanol a potential biomarker for the consumption of these food products.

   
   

2-(12-heneicosenyl)-2,3-dihydro-6-methyl-4H-pyran-4-one

2-(12-heneicosenyl)-2,3-dihydro-6-methyl-4H-pyran-4-one

C27H48O2 (404.36541079999995)


   

5-BETA-CHOLESTAN-3-BETA,6-BETA-DIOL

5-BETA-CHOLESTAN-3-BETA,6-BETA-DIOL

C27H48O2 (404.36541079999995)


   

1,20-Nonacosadiene, (Z)-

1,20-Nonacosadiene, (Z)-

C29H56 (404.4381776)


   
   

beta-tocopherylquinone

beta-tocopherylquinone

C28H52O (404.4017942)


   

7,11-Nonacosadiene

7,11-Nonacosadiene

C29H56 (404.4381776)


   

5-icosyl-2-methylbenzene-1,3-diol

5-icosyl-2-methylbenzene-1,3-diol

C27H48O2 (404.36541079999995)


   
   

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

C27H48O2 (404.36541079999995)


   

9,10-Nonacosadiene

9,10-Nonacosadiene

C29H56 (404.4381776)


   

(20R)-cholestane-3beta,21-diol|(3beta, 5alpha)-Cholestane-3, 21-diol, 9CI

(20R)-cholestane-3beta,21-diol|(3beta, 5alpha)-Cholestane-3, 21-diol, 9CI

C27H48O2 (404.36541079999995)


   

(22S)-5alpha-cholestan-3beta,22-diol|5alpha-Cholestan-3beta,22alphaF-diol|5alpha-cholestane-3beta,22alphaF-diol|6-deoxo-28-norcathasterone

(22S)-5alpha-cholestan-3beta,22-diol|5alpha-Cholestan-3beta,22alphaF-diol|5alpha-cholestane-3beta,22alphaF-diol|6-deoxo-28-norcathasterone

C27H48O2 (404.36541079999995)


   

15beta-hydroxycholestane

5alpha-cholest-8(14)-an-3beta,15beta-diol

C27H48O2 (404.36541079999995)


   
   
   

(7Z,11Z)-nonacosadiene

7(Z),11(Z)-Nonacosadiene

C29H56 (404.4381776)


   

C27:3n-7,18,22

5Z,9Z,20Z-Heptacosatrienoic acid

C27H48O2 (404.36541079999995)


   

5beta-Cholestane-3alpha,12alpha-diol

5beta-Cholestane-3alpha,12alpha-diol

C27H48O2 (404.36541079999995)


   

5beta-Cholestane-3alpha,26-diol

5beta-Cholestane-3alpha,26-diol

C27H48O2 (404.36541079999995)


   

5-Heneicosylresorcinol

5-Heneicosyl-1,3-benzenediol

C27H48O2 (404.36541079999995)


   

Lepidiumterpenoid

(1E)-5-hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pentadec-1-en-7-one

C27H48O2 (404.36541079999995)


   

WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/12:0)

(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate

C27H48O2 (404.36541079999995)


   

9Z,19Z-Nonacosadiene

9Z,19Z-Nonacosadiene

C29H56 (404.4381776)


   

5,9-Nonacosadiene

5,9-Nonacosadiene

C29H56 (404.4381776)


   

FA 27:3

(11S)-10,11-methylene-5Z,9E-hexacosadienoic acid

C27H48O2 (404.36541079999995)


   

WE 27:3

(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate

C27H48O2 (404.36541079999995)


   

ST 27:0;O2

5alpha-cholest-8(14)-an-3beta,15beta-diol

C27H48O2 (404.36541079999995)


   

24:3(5Z,9Z,17Z)(15Me,19Me,23Me)

15,19,23-trimethyl-5Z,9Z,17Z-tetracosatrienoic acid

C27H48O2 (404.36541079999995)


   

5-n-heneicosylresorcinol

5-heneicosylbenzene-1,3-diol

C27H48O2 (404.36541079999995)


   

5-BETA-CHOLESTAN-3-BETA, 6-BETA-DIOL

5-BETA-CHOLESTAN-3-BETA, 6-BETA-DIOL

C27H48O2 (404.36541079999995)


   

1,1,1,1-(1,2-Ethanediyldinitrilo)tetra(2-pentanol)

1,1,1,1-(1,2-Ethanediyldinitrilo)tetra(2-pentanol)

C22H48N2O4 (404.3613888)


   

[trans[trans(trans)]]-4-Pentylcyclohexanecarboxylic acid 4-propyl[1,1-bicyclohexyl]-4-yl ester

[trans[trans(trans)]]-4-Pentylcyclohexanecarboxylic acid 4-propyl[1,1-bicyclohexyl]-4-yl ester

C27H48O2 (404.36541079999995)


   

(3beta,5alpha,22S)-Cholestane-3,22-diol

(3beta,5alpha,22S)-Cholestane-3,22-diol

C27H48O2 (404.36541079999995)


   

5alpha-Cholestan-3beta,15beta-diol

5alpha-Cholestan-3beta,15beta-diol

C27H48O2 (404.36541079999995)


   

(22alpha)-hydroxy-cholestanol

14-(3-hydroxy-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol

C27H48O2 (404.36541079999995)


(22alpha)-hydroxy-cholestanol belongs to dihydroxy bile acids, alcohols and derivatives class of compounds. Those are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups (22alpha)-hydroxy-cholestanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22alpha)-hydroxy-cholestanol can be found in a number of food items such as caraway, bayberry, burdock, and cowpea, which makes (22alpha)-hydroxy-cholestanol a potential biomarker for the consumption of these food products. (22α)-hydroxy-cholestanol belongs to dihydroxy bile acids, alcohols and derivatives class of compounds. Those are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups (22α)-hydroxy-cholestanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22α)-hydroxy-cholestanol can be found in a number of food items such as caraway, bayberry, burdock, and cowpea, which makes (22α)-hydroxy-cholestanol a potential biomarker for the consumption of these food products.

   

(6E,9E)-nonacosa-6,9-diene

(6E,9E)-nonacosa-6,9-diene

C29H56 (404.4381776)


   
   

9,12-Nonacosadiene

9,12-Nonacosadiene

C29H56 (404.4381776)


   

19,22-Octacosadienal

19,22-Octacosadienal

C28H52O (404.4017942)


   

16,19-Octacosadienal

16,19-Octacosadienal

C28H52O (404.4017942)


   
   
   

(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

C27H48O2 (404.36541079999995)


   

5beta-Cholestane-3alpha,7alpha-diol

5beta-Cholestane-3alpha,7alpha-diol

C27H48O2 (404.36541079999995)


   

6alpha-hydroxycholestanol

6alpha-hydroxycholestanol

C27H48O2 (404.36541079999995)


A sterol that is cholestanol in which the hydrogen at the 6alpha position has been replaced by a hydroxy group.

   
   

(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate

(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate

C27H48O2 (404.36541079999995)


   
   

5Z,9Z,20Z-Heptacosatrienoic acid

5Z,9Z,20Z-Heptacosatrienoic acid

C27H48O2 (404.36541079999995)


   

15,19,23-trimethyl-5Z,9Z,17Z-tetracosatrienoic acid

15,19,23-trimethyl-5Z,9Z,17Z-tetracosatrienoic acid

C27H48O2 (404.36541079999995)


   
   
   
   
   
   

nonacosa-1,20-diene

nonacosa-1,20-diene

C29H56 (404.4381776)


   

(2r)-2-[(12z)-henicos-12-en-1-yl]-6-methyl-2,3-dihydropyran-4-one

(2r)-2-[(12z)-henicos-12-en-1-yl]-6-methyl-2,3-dihydropyran-4-one

C27H48O2 (404.36541079999995)