Metabolite List
metabolites which its exact mass nearly 554.2516 with tolerance error 0.01 da.
Pantethine (BioCAD00000015855)
Formula: C22H42N4O8S2 (Exact Mass: 554.2444)
An organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group." []
D-Pantethine (BioCAD00000020307)
Formula: C22H42N4O8S2 (Exact Mass: 554.2444)
D-Pantethine, also known as pantetina or pantomin, belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Most vitamin B5 supplements are in the form of calcium pantothenate, a salt of pantothenic acid, with doses in the range of 5 to 10 mg/day. Pantethine is available in the United States as a dietary supplement because of evidence of its health benefits for lowering elevated LDL-cholesterol and triglycerides, and raising HDL-cholesterol (the 'good' cholesterol). In contrast, pantethine is sold as a dietary supplement for lowering blood cholesterol and triglycerides at doses of 500 to 1200 mg/day. These clinical trials were conducted with daily intakes ranging from 600 to 1200 mg/day. Pantethine (bis-pantethine or co-enzyme pantethine) is a dimeric form of pantetheine, which is produced from pantothenic acid (vitamin B5) by the addition of cysteamine. D-Pantethine is a drug. Pantetheine is an intermediate in the production of coenzyme A by the body. In multiple clinical trials of patients with elevated cholesterol and triglycerides, total and LDL cholesterol were decreased by an average of 12%, triglycerides decreased by 19%, and HDL cholesterol was increased by 9%. Pantethine is composed of two molecules of pantetheine linked by a bridging disulfide. Most of the literature on pantethine and lipids is 20 to 30 years old, but recent carefully controlled trials of 600 and 900 mg/d doses have shown similar statistically significant lowering of LDL cholesterol in individuals with greatly or moderately elevated levels of blood lipids. A few trials conducted in Japan tested 300 mg/day and reported decreases in total cholesterol of about 4%, increases in HDL-cholesterol of 5% and inconsistent results for triglycerides. Direct dose-response evidence is not available because no trial tested more than one dose. Within this dose range there is no evidence of a dose-effect relationship, i.e. changes in lipid concentrations overlapped across the range of doses.
5-acetyl-N-[3-[4-(2-carbamoylphenyl)piperazin-1-yl]propyl]-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide (BioCAD00000622790)
Formula: C28H32F2N6O4 (Exact Mass: 554.2453)
5-butyl-2-(2-phenylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid (BioCAD00000667371)
Formula: C34H30N6O2 (Exact Mass: 554.243)
4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;dihydrochloride (BioCAD00000670583)
Formula: C32H40Cl2N2O2 (Exact Mass: 554.2467)
1-methyl-N-(2-{[(1-methyl-1H-imidazol-5-yl)methyl](4-phenylphenyl)amino}ethyl)-N-[(2-methylphenyl)methyl]-1H-imidazole-4-sulfonamide (BioCAD00000697739)
Formula: C31H34N6O2S (Exact Mass: 554.2464)
Tozasertib lactate (BioCAD00000709424)
Formula: C26H34N8O4S (Exact Mass: 554.2424)
Tozasertib Lactate is the lactate salt of tozasertib, a synthetic, small-molecule Aurora kinase inhibitor with potential antitumor activity. Tozasertib binds to and inhibits Aurora kinases (AKs), thereby inducing apoptosis in tumor cells in which AKs are overexpressed. AKs, a family of serine-threonine kinases, are essential for mitotic progression, spindle formation, centrosome maturation, chromosomal segregation, and cytokinesis.