Exact Mass: 464.3613888

Exact Mass Matches: 464.3613888

Found 219 metabolites which its exact mass value is equals to given mass value 464.3613888, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

25d20E

(2S,3R,5R,9R,10R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6(10H)-one

C27H44O6 (464.3137724)

Ponasterone A is a 2beta-hydroxy steroid, a 3beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 20-hydroxy steroid, a 22-hydroxy steroid, a 6-oxo steroid and a phytoecdysteroid. Ponasterone A is a natural product found in Zoanthus, Lomaridium contiguum, and other organisms with data available. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Ponasterone A (25-Deoxyecdysterone), an ecdysteroid, has strong affinity for the ecdysone receptor. Ponasterone A is a potent regulator of gene expression in cells and transgenic animals, enabling reporter genes to be turned on and off rapidly[1][2].

ecdysone

17-(3,6-dihydroxy-6-methylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C27H44O6 (464.3137724)

A 6-oxo steroid that is 5beta-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2beta, 3beta, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Ecdysone, also known as molting hormone, belongs to pentahydroxy bile acids, alcohols and derivatives class of compounds. Those are bile acids, alcohols or derivatives bearing five hydroxyl groups. Thus, ecdysone is considered to be a sterol lipid molecule. Ecdysone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Ecdysone can be synthesized from 5beta-cholestane. Ecdysone is also a parent compound for other transformation products, including but not limited to, (25R)-11alpha,20,26-trihydroxyecdysone, (24R)-11alpha,20,24-trihydroxyecdysone, and ecdysone 25-O-D-glucopyranoside. Ecdysone can be found in spinach, which makes ecdysone a potential biomarker for the consumption of this food product. Ecdysone is a steroidal prohormone of the major insect molting hormone 20-hydroxyecdysone, which is secreted from the prothoracic glands. Insect molting hormones (ecdysone and its homologues) are generally called ecdysteroids. Ecdysteroids act as moulting hormones of arthropods but also occur in other related phyla where they can play different roles. In Drosophila melanogaster, an increase in ecdysone concentration induces the expression of genes coding for proteins that the larva requires, and it causes chromosome puffs (sites of high expression) to form in polytene chromosomes. Recent findings in Chris Q. Doe lab have found a novel role of this hormone in regulating temporal gene transitions within neural stem cells. Ecdysone and other ecdysteroids also appear in many plants mostly as a protection agent (toxins or antifeedants) against herbivorous insects. These phytoecdysteroids have been reputed to have medicinal value and are part of herbal adaptogenic remedies like Cordyceps, yet an ecdysteroid precursor in plants has been shown to have cytotoxic properties. A pesticide sold with the name MIMIC has ecdysteroid activity, although its chemical structure has little resemblance to the ecdysteroids . Ecdysone (α-Ecdysone), a major steroid hormone in insects and herbs, triggers mineralocorticoid receptor (MR) activation and induces cellular apoptosis. Ecdysone plays essential roles in coordinating developmental transitions and homeostatic sleep regulation through its active metabolite 20-hydroxyecdysone (Crustecdysone; 20E; HY-N6979)[1][2].

Castasterone

(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethyl-heptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

C28H48O5 (464.3501558)

2-Deoxybrassinolide

15-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one

C28H48O5 (464.3501558)

2-Deoxybrassinolide is found in green vegetables. 2-Deoxybrassinolide is a constituent of seeds of Apium graveolens (celery) and Pisum sativum (pea). Constituent of seeds of Apium graveolens (celery) and Pisum sativum (pea). 2-Deoxybrassinolide is found in pulses, green vegetables, and common pea.

Demissidine

(2R,5R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0^{2,7}.0^{12,16}]octadecan-8-one

C28H48O5 (464.3501558)

3-epidemissidine belongs to solanidines and derivatives class of compounds. Those are steroids with a structure based on the solanidane skeleton. Solanidane arises from the conversion of a cholestane side-chain into a bicyclic system. 3-epidemissidine is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-epidemissidine can be found in alcoholic beverages, potato, and root vegetables, which makes 3-epidemissidine a potential biomarker for the consumption of these food products. 2-deoxybrassinolide belongs to brassinolides and derivatives class of compounds. Those are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one. 2-deoxybrassinolide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-deoxybrassinolide can be found in common pea, green vegetables, and pulses, which makes 2-deoxybrassinolide a potential biomarker for the consumption of these food products.

3-Epiecdysone

C27H44O6 (464.3137724)

Trihydroxycoprostanoic acid

(1S,2R,5R,7R,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-7-carboxylic acid

C28H48O5 (464.3501558)

Trihydroxycoprostanoic acid is excreted in the urine of patients with Zellweger syndrome (PMID 7347441), a genetic disorder. The oxidation trihydroxycoprostanic acid is deficient in liver homogenates from patients with peroxisomal diseases (PMID 2576087). Trihydroxycoprostanoic acid is found to be associated with adrenoleukodystrophy (ALD), which is also an inborn error of metabolism. Trihydroxycoprostanoic acid is excreted in the urine of patients with Zellweger syndrome (PMID 7347441 ) D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

Ecdysone

(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C27H44O6 (464.3137724)

Ponasterone A

14-(2,3-dihydroxy-6-methylheptan-2-yl)-4,5,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one

C27H44O6 (464.3137724)

sphingosylphosphorylcholine

{2-[(2-amino-3-hydroxyoctadec-4-en-1-yl phosphono)oxy]ethyl}trimethylazanium

C23H49N2O5P (464.33789140000005)

Castasterone

(1S,2R,4R,5S,7S,10S,11S,14R,15S)-14-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one

C28H48O5 (464.3501558)

Castasterone 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. Castasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Castasterone can be found in a number of food items such as silver linden, common oregano, pili nut, and canola, which makes castasterone a potential biomarker for the consumption of these food products.

3,24-Diepicastasterone

(1S,2R,4R,5R,7S,10S,11S,14R,15S)-14-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one

C28H48O5 (464.3501558)

3,24-diepicastasterone 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. 3,24-diepicastasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,24-diepicastasterone can be found in common bean, green bean, and yellow wax bean, which makes 3,24-diepicastasterone a potential biomarker for the consumption of these food products.

Taxisterone

2beta,3beta,14alpha,20R,25-pentahydroxy-5beta-cholest-7-en-6-one