Metabolite List
metabolites which its exact mass nearly 450.3345 with tolerance error 0.01 da.
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate (BioCAD00000004085)
Formula: C27H46O5 (Exact Mass: 450.3345)
Trihydroxycholestanoic Acid
Coprocholic acid (BioCAD00000019754)
Formula: C27H46O5 (Exact Mass: 450.3345)
Coprocholic acid, also called 3α,7α,12α-Trihydroxy-5β-cholestan-26-oic 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 the 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,12alpha,25-Tetrahydroxy-5beta-cholestane-24-one (BioCAD00000055551)
Formula: C27H46O5 (Exact Mass: 450.3345)
This compound belongs to the family of Tetrahydroxy Bile Acids, Alcohols and Derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.
3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al (BioCAD00000056692)
Formula: C27H46O5 (Exact Mass: 450.3345)
3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al is also known as 3α,7α,12α,24(S)-tetrahydroxy-5β-cholestan-27-al. 3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al is considered to be practically insoluble (in water) and relatively neutral
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate (BioCAD00000056693)
Formula: C27H46O5 (Exact Mass: 450.3345)
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate is also known as 3a,7a,12a-Trihydroxy-5b-cholestan-26-Oic acid or 3α,7α,12α-trihydroxy-5β-cholestanoate(1-). 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate is considered to be practically insoluble (in water) and acidic
28-Norcastasterone (BioCAD00000228673)
Formula: C27H46O5 (Exact Mass: 450.3345)
28-norcastasterone belongs to tetrahydroxy bile acids, alcohols and derivatives class of compounds. Those are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups. 28-norcastasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 28-norcastasterone can be found in a number of food items such as corn, tea, turnip, and broad bean, which makes 28-norcastasterone a potential biomarker for the consumption of these food products.
Menellsteroid E (BioCAD00000450603)
Formula: C27H46O5 (Exact Mass: 450.3345)
Menellsteroid E
Certonardosterol L (BioCAD00000451075)
Formula: C27H46O5 (Exact Mass: 450.3345)
Certonardosterol L
3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid (BioCAD00000453118)
Formula: C27H46O5 (Exact Mass: 450.3345)
3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid
3alpha,12alpha,22-Trihydroxy-5beta-cholestan-26-oic acid (BioCAD00000453131)
Formula: C27H46O5 (Exact Mass: 450.3345)
3alpha,12alpha,22-Trihydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oic acid (BioCAD00000453132)
Formula: C27H46O5 (Exact Mass: 450.3345)
3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oic acid
3beta,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oic acid (BioCAD00000453133)
Formula: C27H46O5 (Exact Mass: 450.3345)
3beta,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid (BioCAD00000453135)
Formula: C27H46O5 (Exact Mass: 450.3345)
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid