Exact Mass: 506.3484556
Exact Mass Matches: 506.3484556
Found 315 metabolites which its exact mass value is equals to given mass value 506.3484556
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Theasapogenol A
Theasapogenol A is found in tea. Sapogenol isolated from seeds of china tea and other plants. May or may not be present in the leaves. Theasapogenol A is found together with various acylated derivation and their glucosides for which refs. are give Sapogenol isolated from seeds of china tea and other plants. May or may not be present in the leaves. Found together with various acylated derivs. and their glucosides for which refs. are given. Theasapogenol A is found in tea.
Chenodeoxycholylasparagine
Chenodeoxycholylasparagine belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Chenodeoxycholylasparagine consists of the bile acid chenodeoxycholic acid conjugated to the amino acid Asparagine conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Chenodeoxycholylasparagine, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Chenodeoxycholylasparagine appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).
Deoxycholylasparagine
Deoxycholylasparagine belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Deoxycholylasparagine consists of the bile acid deoxycholic acid conjugated to the amino acid Asparagine conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Deoxycholylasparagine, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Deoxycholylasparagine appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).
Anadur
R1-Barrigenol
R1-barrigenol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. R1-barrigenol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). R1-barrigenol can be found in tea, which makes r1-barrigenol a potential biomarker for the consumption of this food product.
Gymnemagenin
Gymnemagenin is a natural product found in Gymnema sylvestre with data available. See also: Gymnema sylvestre leaf (part of). Gymnemagenin is a triterpenoid isolated from G. sylvestre. Gymnemagenin is an agent for diabetes and obesity and also possesses antiviral properties[1][2]. Gymnemagenin is a triterpenoid isolated from G. sylvestre. Gymnemagenin is an agent for diabetes and obesity and also possesses antiviral properties[1][2].
2-(e-Methylbutanoyl),3,17-di-Ac-2,3,16,17-Phyllocladanetetrol
(+)-N-benzoylbuxahyrcanine|(20S)-3beta-benzoylamino-20-dimethylaminobux-9(11)-en-10alpha-ol|N-benzoylbuxahyrcanine
(20R,22R)-6-oxo-2beta,3beta,14alpha,25-tetrahydroxy-5beta-cholest-7-en-22-yl acetate|ecdysone 22-acetate
(24R)-6alpha,11alpha,16beta,24,25-pentahydroxycycloartan-3-one
Tanginol|Tanginol (3beta,6beta,7beta,16beta,23,28-Hexahydroxy-Delta12-oleanen)
amphimedoside A|N-methoxy-N-(16-pyridin-3-ylhexadec-11-yn-1-yl)-beta-D-glucopyranosylamine
3-(1,2-ethanediol)-24-methylcholesta-8(9),22E-diene-3beta,5alpha,6alpha,7alpha,11alpha-pentaol
(2alpha,3alpha,12alpha,17R)-12-methoxy-19(18->17)-abeo-28-norolean-13(18)-ene-2,3,23,24,29-pentol
9,19-Cycloergostan-3-one, 22,24,25,28-tetrahydroxy-4-(hydroxymethyl)-14-methyl-, (5.alpha.)-
(2S)-2,3,9,10-tetrahydro-2-[3,4-dihydro-8-(3-ethoxy-3-methylbutyl)-2,2-dimethyl-2H-chromen-6-yl]-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one|tonkinochromane E
(2E)-3-[3,4-dihydro-8-(3-ethoxy-3-methylbutyl)-2,2-dimethyl-2H-chromen-6-yl]-1-(3,4-dihydro-5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-one|tonkinochromane F
(2S,1R,2R,4S)-fenchyl-3,4-dihydro-5-hydroxy-2,7-dimethyl-8-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-6-carboxylate
(2R,1S,2R,4S)-bornyl-3,4-dihydro-5-hydroxy-2,7-dimethyl-8-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-6-carboxylate
2alpha,3beta,12beta,13beta-tetrahydroxy-urs-28-oic acid|psiguanin C
(3R)-malonyl-(13S)-hydroxy-cheilanth-17-en-19-oate
2alpha,7alpha-diacetoxy-6beta-isovaleroxylabda-8,13-dien-15-ol
3,4-seco-olean-12-en-4,15alpha,22alpha,24-tetraol-3-oic acid
(+)-20S-3-(benzoylamino)-20-(dimethylamino)-5alpha-pregn-2-en-4beta-yl acetate
(20R,22R)-20,22-(R-ethane-1,1-diyldioxy)-2beta,3beta,11alpha,14alpha-tetrahydroxy-5beta-cholest-7-en-6-one|20,22-O-(R-ethylidene)-ajugasterone C
(2beta,3beta,16alpha,20R)-2,3,16,20,25-Pentahydroxy-5-cucurbiten-22-one|2,3,16,20,25-pentahydroxy-9-methyl-19-norlanost-5-en-22-one
(2alpha,3beta,12beta,13beta)-2,3,12,13-tetrahydroxyoleanan-28-oic acid|serrulatin E
Protoescigenin
Protoescigenin is a natural product found in Aesculus indica with data available. Protoescigenin is the main aglycone of horse chestnut saponin mixture known as escin. Protoescigenin is selected as substrate for exploratory chemistry towards selective protection, followed by propargyl ether formation and subsequent condensation with azido-monosaccharides, to obtain novel triazole linked conjugates of the triterpene[1].
19-hydroxy-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid
C30H50O6_13,17,24,25-Tetrahydroxy-16,23-epoxydammaran-3-one
((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine
Ile Ile Val Tyr
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(20R)-24-Hydroxy-19-norgeminivitamin D3
(20S)-24-Hydroxy-19-norgeminivitamin D3
Theasapogenol A
Combretanone B
A pentacyclic triterpenoid that is 9beta,19-cyclolanostane substituted by an oxo group at position 3 and hydroxy groups at positions 7, 23R*, 24S*, 25 and 28. It has been isolated from the leaves of Combretum quadrangulare.
[2-(hexanoyloxymethyl)-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-3-propoxypropyl] heptanoate
Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)-
2,3-Bis[(1-oxooctyl)oxy]propyl beta-D-galactopyranoside
[(E)-2-acetamido-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(2S,3R,4S,6R)-2-[[(3E,5S,6S,7S,9R,11E,13E,15S,16R)-16-ethyl-5,7,9,15-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-3,11,13-trien-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
C26H53NO6P+ (506.36103080000004)
[3-carboxy-2-[(4E,7E,10E,13E,16E)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoyl]oxypropyl]-trimethylazanium
2-[[3-[(9E,12E)-heptadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H49NO7P+ (506.32464740000006)
1,2-Dioctanoyl-3-beta-d-galactosyl-sn-glycerol
A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as octanoyl.
Ile-Leu-Val-Tyr
A tetrapeptide composed of L-isoleucine, L-leucine, L-valine and L-tyrosine joined in sequence by peptide linkages.
8-[1-[4-(Dimethylamino)phenyl]-3-(1-pyrrolidinyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one
C31H42N2O4 (506.31444120000003)
1alpha,25-Dihydroxy-2beta-(1,3-dihydroxypropoxy)-cholecalciferol
1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
3-[(S)-2-Azido-8-[(3,6-diethoxy-5beta-isopropyl-2,5-dihydropyrazin)-2alpha-yl]octanoyl]-4beta-isopropyloxazolidin-2-one
2-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H49NO7P+ (506.32464740000006)
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] dihydrogen phosphate
C30H51O4P (506.35247760000004)
[2-Octanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octanoate
[(E)-3-hydroxy-2-(octanoylamino)dodec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(propanoylamino)heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(pentanoylamino)pentadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(nonanoylamino)undec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(butanoylamino)-3-hydroxyhexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(heptanoylamino)-3-hydroxytridec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(undecanoylamino)non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(hexanoylamino)-3-hydroxytetradec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(decanoylamino)-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-Heptanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] nonanoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] tetradecanoate
[1-Hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] decanoate
[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] dodecanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] tridecanoate
[1-Pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] undecanoate
[(E)-2-(dodecanoylamino)-3-hydroxyoct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (Z)-heptadec-9-enoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (Z)-nonadec-9-enoate
(1-heptanoyloxy-3-phosphonooxypropan-2-yl) (Z)-pentadec-9-enoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (Z)-octadec-9-enoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (Z)-hexadec-9-enoate
(1-nonanoyloxy-3-phosphonooxypropan-2-yl) (Z)-tridec-9-enoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (Z)-icos-11-enoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (Z)-tetradec-9-enoate
(1-decanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(1-dodecanoyloxy-3-hydroxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
19-Hydroxy-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid
((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine
(1-hydroxy-3-octanoyloxypropan-2-yl) (11Z,14Z,17Z)-icosa-11,14,17-trienoate
(1-hexanoyloxy-3-hydroxypropan-2-yl) (10Z,13Z,16Z)-docosa-10,13,16-trienoate
2-[hydroxy-[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
C26H53NO6P+ (506.36103080000004)
2-[[(2R)-3-[(9E,12E)-heptadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H49NO7P+ (506.32464740000006)
[2-[(E)-dodec-5-enoyl]oxy-3-hydroxypropyl] (4E,7E)-hexadeca-4,7-dienoate
[1-carboxy-3-[2-hydroxy-3-[(4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoyl]oxypropoxy]propyl]-trimethylazanium
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate
(2-dodecanoyloxy-3-hydroxypropyl) (9E,11E,13E)-hexadeca-9,11,13-trienoate
[(2S)-2-decanoyloxy-3-hydroxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate
2-[[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H49NO7P+ (506.32464740000006)
DG(28:3)
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TG(28:3)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
LSM(21:1)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved