Exact Mass: 376.2977
Exact Mass Matches: 376.2977
Found 349 metabolites which its exact mass value is equals to given mass value 376.2977,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lithocholic acid
Lithocholic acid, also known as 3alpha-hydroxy-5beta-cholan-24-oic acid or LCA, is a secondary bile acid. It is formed from chenodeoxycholate by bacterial action and is usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute and depends 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). When present in sufficiently high levels, lithocholic acid can act as an oncometabolite. An oncometabolite is a compound that when present at chronically high levels promotes tumour growth and survival. Chronically high levels of lithocholic acid are associated with several forms of cancer including colon cancer, pancreatic cancer, esophageal cancer, and many other GI cancers. High bile acid levels lead to the generation of reactive oxygen species and reactive nitrogen species, disruption of the cell membrane and mitochondria, induction of DNA damage, mutation and apoptosis, and the development of reduced apoptosis capability upon chronic exposure (PMID: 24884764). Dietary fibre can bind to lithocholic acid and aid in its excretion in stool. As such, fibre can protect against colon cancer. CONFIDENCE standard compound; INTERNAL_ID 1308; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5396; ORIGINAL_PRECURSOR_SCAN_NO 5394 CONFIDENCE standard compound; INTERNAL_ID 1308; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5371; ORIGINAL_PRECURSOR_SCAN_NO 5368 CONFIDENCE standard compound; INTERNAL_ID 1308; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5386; ORIGINAL_PRECURSOR_SCAN_NO 5384 A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. [Analytical] Sample of 1 micorL methanol solution was flow injected. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Lithocholic acid is a toxic secondary bile acid that can promote intrahepatic cholestasis and promote tumorigenesis.
Isolithocholic acid
Isolithocholic acid is a bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. A bile acid. 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). A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. [Analytical] Sample of 1 micorL methanol solution was flow injected. Isolithocholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1534-35-6 (retrieved 2024-07-15) (CAS RN: 1534-35-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Isolithocholic acid (β-Lithocholic acid) is an isomer of Lithocholic acid. Isolithocholic acid, a bile acid, is formed by microbial metabolism of Lithocholic acid or Lithocholic acid 3α-sulfate[1][2].
10-Apo-beta-carotenal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Allolithocholic acid
Allolithocholic acid is a bile acid present in normal serum and feces, with a tendency to be at higher concentrations in patients with colon cancer, particularly in men (PMID 16548228). A bile acid. 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). Allolithocholic acid is a bile acid present in normal serum and feces, with a tendency to be at higher concentrations in patients with colon cancer, particularly in men (PMID 16548228). D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Lithocholic acid is a toxic secondary bile acid that can promote intrahepatic cholestasis and promote tumorigenesis.
5-Nonadecyl-1,3-benzenediol
Constituent of wheat bran. 5-Nonadecyl-1,3-benzenediol is found in many foods, some of which are common wheat, pasta, wheat bread, and oat. 5-Nonadecyl-1,3-benzenediol is found in barley. 5-Nonadecyl-1,3-benzenediol is a constituent of wheat bran
[12]-Gingerdione
[12]-Gingerdione is found in herbs and spices. [12]-Gingerdione is from Zingiber officinale (ginger). From Zingiber officinale (ginger). [12]-Gingerdione is found in herbs and spices.
Isoallolithocholic acid
Isoallolithocholic acid is a bile acid. 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). A bile acid. 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.
12b-Hydroxy-5b-cholanoic acid
12-hydroxy-(5b,12b)-Cholan-24-oic acid is a naturally occurring bile acid that has been identified in human bile. (PMID: 14167657) [HMDB] 12-hydroxy-(5b,12b)-Cholan-24-oic acid is a naturally occurring bile acid that has been identified in human bile. (PMID: 14167657).
7a-Hydroxy-5b-cholanic acid
7a-hydroxy-5b-cholanic acid is a bile acid. 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). 7a-hydroxy-5b-cholanic acid is a bile acid. 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]
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)
MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well. [HMDB] MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
9'-Carboxy-gamma-chromanol
9-Carboxy-gamma-tocopherol is a dehydrogenation carboxylate product of 9-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. r-Tocopherol provides different antioxidant activities in food and in-vitro studies and showed higher activity in trapping lipophilic electrophiles and reactive nitrogen and oxygen species. From the metabolism end product, only that of r-tocopherol (2,7,8-trimethyl-2-(b-carboxyethyl)-6-hydroxychroman), but not that of a-tocopherol, was identified to provide natriuretic activity. Only the r-tocopherol plasma level served as biomarker for cancer and cardiovascular risk.
10'-Apo-beta-carotenal
10-Apo-beta-carotenal belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. 10-Apo-beta-carotenal is a constituent of oranges and other citrus fruits. 10-Apo-beta-carotenal is a substrate for beta,beta-carotene 9,10-oxygenase. Constituent of oranges and other citrus fruits. 10-Apo-beta-caroten-10-al is found in citrus. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Pinane thromboxane A2
2-{2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHOXY}ETHYL DODECANOATE
methyl (Z)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoate
1,3-dimethoxy-5-heptadecylbenzene|1-heptadecyl-3,5-dimethoxy-benzene|1-Heptadecyl-3,5-dimethoxy-benzol|5-Heptadecylresorcinoldimethylether|Di-Me ether-5-Heptadecyl-1,3-benzenediol
Di-Ac-(3beta,5alpha,13alpha,16alpha)-Androstane-3,16-diol
Enantio-18-acetoxy-labdien-8(20).13-15-saeuremethylester
(2E,4E,6R)-3-(4-Guanidinobutyl)-1-(2,6,10-trimethylundeca-2,4,9-trienoyl)guanidine dihydrochloride|(R)-stellettadine A dihydrochloride
(Z)-3-Hydroxy-2-(1-oxo-9-otadecenyl)-2-cyclohexen-1-one
2-(10-nonadecenyl)-2,3-dihydro-6-methyl-4H-pyran-4-one|6-methyl-2-[(10Z)-nonadec-10-en-1-yl]-2,3-dihydro-4H-pyran-4-one
1-oleoylcyclohexane-1,3-dione|2-Oleoylcyclohexane-1,3-dione
turraeanin C|[16(E),12S,15R]-rel-16-acetoxy-12,15-epoxy-15-methoxy-ent-labda-8(17),13(16)-diene
3,6-dimethyl-6-( 8-phenyloctyl)-1 ,2-dioxane-3 -propanoic acid
(13E)-labd-7,13-diene-15-yl malonic acid|13(E)-labda-7,13-diene-15-ol malonate|lambda-7,13E-dien-15-yl malonate
7alpha,16alpha,17-trihydroxy-ent-kauran-6-one 16,17-acetonide|broussonetone C
17-Ac-(3beta,5alpha,17alphaOH)-3,17-Dihydroxypregnan-20-one
(-)-methyl solidagonate|methyl 7alpha-acetoxykolavenoate|methyl solidagonate|Solidagonsaeure-methylester
3-Ac-(3beta,5alpha,14beta,17alpha)-3,14-Dihydroxypregnan-20-one
Propanoyl-(ent-13E)-15-Hydroxy-1(10),13-halimadien-18-oic acid
methyl 15-acetoxy-1(10),13E-ent-halimene-18-oate|methyl-15-acetoxy-1(10),13E-ent-halimadien-18-oate|methyl-15-acetoxy-1(10),13E-halimadien-18-oate
17beta-Hydroxy-3beta-acetoxy-octanor-dammaran|3beta-Acetoxy-17beta-hydroxy-<20/27>-octanor-dammaran|3beta-acetoxy-20,21,22,23,24,25,26,27-octanordammaran-20-one|3beta-acetoxy-4,4,8,14-tetramethyl-18-nor-5alpha-androstan-17beta-ol
3beta,12beta-dihydroxy-23,24,25,26,27-hexanordammarane-20-one
6-(8Z-pentadecenyl)-1,2,4-trihydroxybenzene-1-O-acetate|ardisiphenol B
(3alpha,14beta)-3,18-[(1-methylethane-1,1,diyl)dioxy]-ent-abieta-7,15(17)-diene-14,16-diol|14beta,16-dihydroxy-3alpha,18-[(1-methylethane-1,1-diyl)dioxy]-ent-abieta-7,15(17)-diene
ent-16beta,17-Dihydroxykauran-19-oic acid 16alpha,17-acetonide
16-Acetoxy-trans-labda-8(14).13(15)-dien-19-saeure-methylester|Isocupressinsaeure-methylester-acetat|methyl (E)-15-acetoxylabda-8(17),13-dien-19-oate|methyl 15-O-acetylisocupressate|methyl acetylisocupressate|Methyl-15-acetoxy-8(17),E-13-labdadien-19-oat ( =Methylacetylisocupressat)|Methyl-15-acetoxy-8(17)-(E)-13-labdadien-19-oat|Methylisocupressat
ent-3,13E-clerodadien-15-yl-methyl malonic acid diester
15-Hydroxy-9-ketoprosta-5,8(12),13-trien-carbonsaeure
Methyl-19-acetoxy-8,(E)13-labdadien-15-oat|Methyl-19-hydroxy-8-E-13-labdadien-15-oatacetat
11-Acetoxy-labd-8(20)13-dien-15-carbonsaeuremethylester
methyl 3beta-acetoxyanticopalate|methyl ester 3beta-acetoxyanticopalic acid
10-Ac-(Z)-5-(10-Hydroxy-8-pentadecenyl)-1,3-benzenediol|5-(10-acetoxy-pentadec-8Z-enyl)-Resorcinol
20-hydroxy-4,8,13,17-tetramethyl-4,8,12,16-eicosatetraenoic acid
1-(3,4-dihydroxyphenyl)octadecan-5-one|3-Hydroxy-1-(4-Hydroxyphenyl)-5-octadecanone
(Z)-2,5-dihydroxy-3-(heptadec-8-enyl)-1,4-benzoquinone|2-(heptadec-8-enyl)-3,6-dihydroxy-1,4-benzoquinone
Pinane thromboxane A2
7alpha-Hydroxy-5beta-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
7beta-Hydroxy-5beta-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
12alpha-Hydroxy-5beta-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
12beta-Hydroxy-5beta-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
3alpha-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
3beta-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
7alpha-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
7beta-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
12alpha-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
12beta-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
6a-Hydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
6b-Hydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
6a-Hydroxy-5a-cholan-24-oic acid
BA-93-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-93-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-93-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
(5a,6b)-6-Hydroxycholan-24-oic acid
BA-94-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-94-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
Lithocholic acid
A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents relative retention time with respect to 9-anthracene Carboxylic Acid is 1.566 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.575 Lithocholic acid is a toxic secondary bile acid that can promote intrahepatic cholestasis and promote tumorigenesis.
C23H36O4_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-, methyl ester, (2Z)
β-Lithocholanic acid
A monohydroxy-5beta-cholanic acid with a beta-hydroxy substituent at position 3. The 3beta-hydroxy epimer of lithocholic acid. Isolithocholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1534-35-6 (retrieved 2024-07-15) (CAS RN: 1534-35-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Isolithocholic acid (β-Lithocholic acid) is an isomer of Lithocholic acid. Isolithocholic acid, a bile acid, is formed by microbial metabolism of Lithocholic acid or Lithocholic acid 3α-sulfate[1][2].
(R)-4-((3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
15(R)-Pinane Thromboxane A2
(±)-CP 55,940
CP 55,940
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(±)5-epi CP 55,940
10'-apo-beta-carotenal
ST 24:1;O3
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
beta-Apo-10-carotenal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
1,2-DIFLUORO-4-(TRANS-4-(2-(TRANS-4-PENTYLCYCLOHEXYL)ETHYL)CYCLOHEXYL)BENZENE
3-Benzyl-1-dodecyl-2-methyl-1H-imidazolium chloride
17BETA-HYDROXY-4,4-DIMETHYLSPIRO(5ALPHA-ANDROSTANE-3,2-OXAZOLIDIN)-3-YLOXY
Glyoxal bis(2,6-diisopropylanil),N,Nμ-Bis(2,6-diisopropylphenyl)-1,4-diazabutadiene,N,Nμ-Bis(2,6-diisopropylphenyl)ethanediimine
Hexcarbacholine
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist
Methyl 3-(acetyloxymethyl)-5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)pent-2-enoate
(1S,4bS,10aR)-1-[(Z)-5-hydroxy-3-methylpent-3-enyl]-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ol
(E)-7-[3-[(E)-3-hydroxyoct-1-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
[(E)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate
[3-Carboxy-2-(3,5-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,10-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,9-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,6-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,8-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,7-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,4-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,11-dihydroxydodecanoyloxy)propyl]-trimethylazanium
Ardisiphenol B
An acetate ester obtained from the formal condensation of acetic acid with the hydroxy group at position 1 of 6-[(8Z)-pentadec-8-en-1-yl]benzene-1,2,4-triol. Isolated from the dried fruits of Ardisia colorata, it exhibits scavenging activity towards DPPH radicals and cytotoxicity against murine breast cancer cell line, FM3A.
4-[(3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
1-[1-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxo)methyl]cyclohexyl]-3-cyclohexylurea
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate
(2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4S)-4-hydroxy-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
2,3-dihydroxypropyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] acetate
[8-[2-(4-Hydroxyoxan-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
4-[(3R,5R,8R,9S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
[(2S)-2,3-dihydroxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
[1-Carboxy-3-(2-hydroxy-3-nonanoyloxypropoxy)propyl]-trimethylazanium
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl decanoate
1-O-(1E,3E,5E,7E,9E-heneicosapentenyl)-sn-glycerol
2-acylglycerol 20:5
A 2-monoglyceride in which the acyl group contains 20 carbons and 5 double bonds.
monoacylglycerol 20:5
A monoglyceride in which the acyl group contains a total of 20 carbon atoms and 5 double bonds at unspecified positions.
3-deoxychenodeoxycholic acid
A monohydroxy-5beta-cholanic acid in which the hydroxy group is located at the 7alpha-position. A structural derivative of the bile acid, chenodeoxycholic acid.
preluffariellolide A
A sesterterpenoid that is cyclohexane substituted by methyl, hydroxy, (2E,6E,10E)-1-hydroxy-3,7,11-trimethyltrideca-2,6,10-trien-13-yl, methyl and methyl groups at positions 1,1,2,3 and 3, respectively.
2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycerol
A monoacylglycerol 20:5 in which the acyl group specified at position 2 is (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl.
2-hydroxy-5-methoxy-6-methyl-3-(pentadec-10-en-1-yl)cyclohexa-2,5-diene-1,4-dione
[(2r,3e,5s)-2-{[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-5-methoxyoxolan-3-ylidene]methyl acetate
3-[(8z)-heptadec-8-en-1-yl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
15-(3,5-dihydroxyphenyl)pentadec-7-en-6-yl acetate
methyl (2e)-5-[(1s,4ar,6s,8ar)-6-(acetyloxy)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-enoate
[(2s,3e,5r)-2-{[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-5-methoxyoxolan-3-ylidene]methyl acetate
3-{[9-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-dien-1-yl]oxy}-3-oxopropanoic acid
[7-(acetyloxy)-4b,8,8,10a-tetramethyl-2-methylidene-decahydrophenanthren-1-yl]acetic acid
3-(2-formyl-2,4b,8,8,10a-pentamethyl-decahydrophenanthren-1-yl)-2-methylpropanoic acid
(1s,3ar,3br,5ar,7s,9ar,9br,11as)-1-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate
3-{[(2e,6e)-9-[(1s)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-yl]oxy}-3-oxopropanoic acid
(1'r,2r,2's,4'r,9's,10's,13's)-2'-hydroxy-5,5,5',5',9'-pentamethylspiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan]-3'-one
2,4-dihydroxy-6-(pentadec-8-en-1-yl)phenyl acetate
methyl (2e)-5-[(1s,2r,4r,4ar,8ar)-4-(acetyloxy)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoate
3-oxo-3-{[(1s,2s,7s,10s,12r,13s)-2,6,6,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadecan-12-yl]oxy}propanoic acid
6-hydroxy-n-isopentenyldendroxine
{"Ingredient_id": "HBIN012463","Ingredient_name": "6-hydroxy-n-isopentenyldendroxine","Alias": "6-hydroxy- n -isopentenyldendroxine","Ingredient_formula": "C22H34NO4(+)","Ingredient_Smile": "NA","Ingredient_weight": "376.515","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7543;7558","PubChem_id": "NA","DrugBank_id": "NA"}
