Exact Mass: 520.3164884

Exact Mass Matches: 520.3164884

Found 500 metabolites which its exact mass value is equals to given mass value 520.3164884, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cyasteron

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

C29H44O8 (520.3036024)

Cyasterone is a steroid lactone, a 21-hydroxy steroid, a 2beta-hydroxy steroid, a 3beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 20-hydroxy steroid, a 6-oxo steroid and a phytoecdysteroid. Cyasterone is a natural product found in Ajuga decumbens, Ajuga iva, and other organisms with data available. Cyasterone, a natural EGFR inhibitor, mainly isolated from Ajuga decumbens Thunb (Labiatae). Cyasterone manifests anti-proliferation effect by induced apoptosis and cell cycle arrests. Cyasterone may serves as a therapeutic anti-tumor agent against human tumors[1]. Cyasterone, a natural EGFR inhibitor, mainly isolated from Ajuga decumbens Thunb (Labiatae). Cyasterone manifests anti-proliferation effect by induced apoptosis and cell cycle arrests. Cyasterone may serves as a therapeutic anti-tumor agent against human tumors[1].

1-Linoleoyl-sn-glycero-3-phosphocholine

C26H51NO7P+ (520.3402966)

Cucurbitacin P

Cucurbitacin IIb

C30H48O7 (520.3399858)

Soraphen A

(1S,2S,3E,5R,6S,11S,14S,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one

C29H44O8 (520.3036024)

A macrolide and an agent highly effective against plant-pathogenic fungi. It was extensively researched for agricultural use until it was discovered to be a teratogen.

24,25-Diacetylvulgaroside

(1-{2-[2-(acetyloxy)-5-oxo-2,5-dihydrofuran-3-yl]-2-hydroxyethyl}-2-hydroxy-4b,8,8,10a-tetramethyl-tetradecahydrophenanthren-2-yl)methyl acetic acid

C29H44O8 (520.3036024)

24,25-Diacetylvulgaroside is found in fruits. 24,25-Diacetylvulgaroside is a constituent of Cydonia vulgaris (quince). Constituent of Cydonia vulgaris (quince). 24,25-Diacetylvulgaroside is found in fruits.

Digoxigenin monodigitoxoside

4-[(2S,5S,7R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one

C29H44O8 (520.3036024)

Digoxigenin monodigitoxoside is a metabolite of digoxin. Digoxin is a purified cardiac glycoside and extracted from the foxglove plant, Digitalis lanata. Its corresponding aglycone is digoxigenin, and its acetyl derivative is acetyldigoxin. Digoxin is widely used in the treatment of various heart conditions, namely atrial fibrillation, atrial flutter and sometimes heart failure that cannot be controlled by other medication. Digoxin preparations are commonly marketed under the trade names Lanoxin, Digitek, and Lanoxicaps. (Wikipedia)

LysoPA(24:1(15Z)/0:0)

{2-hydroxy-3-[(15Z)-tetracos-15-enoyloxy]propoxy}phosphonic acid

C27H53O7P (520.3528718)

LysoPA(24:1(15Z)/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(24:1(15Z)/0:0), in particular, consists of one chain of nervonic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.

Chenodeoxycholylglutamine

2-[(4-{5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadecan-14-yl}-1-hydroxypentylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoate

C29H48N2O6 (520.3512188)

Chenodeoxycholylglutamine 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. Chenodeoxycholylglutamine consists of the bile acid chenodeoxycholic acid conjugated to the amino acid Glutamine 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 Chenodeoxycholylglutamine, 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). Chenodeoxycholylglutamine 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).

Deoxycholylglutamine

4-carbamoyl-2-(4-{5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl}pentanamido)butanoic acid

C29H48N2O6 (520.3512188)

Deoxycholylglutamine 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. Deoxycholylglutamine consists of the bile acid deoxycholic acid conjugated to the amino acid Glutamine 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 Deoxycholylglutamine, 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). Deoxycholylglutamine 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).

Cyasterone

4-(2,3-dihydroxy-3-{4,5,11-trihydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-14-yl}butyl)-3,5-dimethyloxolan-2-one

C29H44O8 (520.3036024)

Precyasterone

C29H44O8 (520.3036024)

Platycodigenin

(4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

C30H48O7 (520.3399858)

5,10,11-Trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid is a natural product found in Platycodon grandiflorus with data available. Platicodigenin isolated from platycodon grandiflorum. Platicodigenin isolated from platycodon grandiflorum.

Cucurbitacin IIb

(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

C30H48O7 (520.3399858)

Cucurbitacin IIb is a natural product found in Physocarpus capitatus, Begonia heracleifolia, and other organisms with data available. Cucurbitacin IIb is an active component isolated from Hemsleya amabilis, induces apoptosis with anti-inflammatory activity. Cucurbitacin IIb inhibits phosphorylation of STAT3, JNK and Erk1/2, enhances the phosphorylation of IκB and NF-κB (p65), blocks nuclear translocation of NF-κB (p65) and decreases mRNA levels of IκBα and TNF-α[1]. Cucurbitacin IIb is an active component isolated from Hemsleya amabilis, induces apoptosis with anti-inflammatory activity. Cucurbitacin IIb inhibits phosphorylation of STAT3, JNK and Erk1/2, enhances the phosphorylation of IκB and NF-κB (p65), blocks nuclear translocation of NF-κB (p65) and decreases mRNA levels of IκBα and TNF-α[1].

Gamboukokoensein A

1alpha,2alpha,3beta,19alpha,23-Pentahydroxyurs-12-en-28-oic acid

C30H48O7 (520.3399858)

Sedumoside G

C25H44O11 (520.2883474)

20-Hydroxyecdysone 2,3-monoacetonide

(+)-20-Hydroxyecdysone 2,3-monoacetonide

C30H48O7 (520.3399858)

Ecdysterone 20,22-monoacetonide

(+)-20-Hydroxyecdysone-20,22-monoacetonide

C30H48O7 (520.3399858)

Origin: Plant; SubCategory_DNP: The sterols, Cholestanes

Antibiotic BU 2867TA

C27H44N4O6 (520.3260683999999)

Sedumoside F2

C25H44O11 (520.2883474)

Alisol P

C30H48O7 (520.3399858)

Casearinol B

C29H44O8 (520.3036024)

Baconipyrone A

C29H44O8 (520.3036024)

Sanjoinine B

C30H40N4O4 (520.30494)

3-Libocedroxythymoquinone

C32H40O6 (520.2824740000001)

Ochrocarpinone B

C33H44O5 (520.3188574)

Ochrocarpinone C

C33H44O5 (520.3188574)

1beta,3beta,5alpha,23,24-Pentahydroxy-30-norolean-12,20(29)-dien-28-oic acid

(+)-1beta,3beta,5alpha,23,24-Pentahydroxy-30-norolean-12,20(29)-dien-28-oic acid

C29H44O8 (520.3036024)

C29H44O8

C29H44O8 (520.3036024)

C32H40O6

C32H40O6 (520.2824740000001)

FT-0668445

C29H44O8 (520.3036024)

nigramide L

C32H44N2O4 (520.3300904)

pestalofone C

C32H40O6 (520.2824740000001)

Trachelosperogenin B

C30H48O7 (520.3399858)

A pentacyclic triterpenoid that is urs-12-ene carrying a carboxy substituent at position 28 as well as five hydroxy substituents at positions 2, 3, 19, 23 and 24 (the 2alpha,3beta stereoisomer).

C30H48O7

C30H48O7 (520.3399858)

(+)-siphonarin B|siphonarin B

C29H44O8 (520.3036024)

Hippurin 1

C30H48O7 (520.3399858)

(3R,3aR,4S,11aR,13bS)-1,2,3,3a,4,5,9,11,11a,13b-decahydro-3a,11,11,13b-tetramethyl-3-{(1S)-1-[(2S)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl}-9-oxoindeo[5,4:4,5]cyclohepta[1,2-c]oxepin-4-yl acetate|heteroclitalactone G|polysperlactone A

(3R,3aR,4S,11aR,13bS)-1,2,3,3a,4,5,9,11,11a,13b-decahydro-3a,11,11,13b-tetramethyl-3-{(1S)-1-[(2S)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl}-9-oxoindeo[5,4:4,5]cyclohepta[1,2-c]oxepin-4-yl acetate|heteroclitalactone G|polysperlactone A

C32H40O6 (520.2824740000001)

combregenin

C30H48O7 (520.3399858)

asbestinin-7

C30H48O7 (520.3399858)

polyporusterone I

C30H48O7 (520.3399858)

petrosaspongiolide J

C29H44O8 (520.3036024)

epolone A

C32H40O6 (520.2824740000001)

caseargrewiin K|rel-(2R,5S,6R,7R,8S,9S,10S,18S,19S)-18-methoxy-19-acetoxy-18,19-epoxy-2-hexanoyloxy-6,7-dihydroxycleroda-3,12(Z),14-triene

C29H44O8 (520.3036024)

Caloudrin B

C29H44O8 (520.3036024)

N-demethyl-integerrenine|N-methyl-L-isoleucine (4S)-7t-isobutyl-5,8-dioxo-3t-phenyl-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide|Nummularin-D|Nummularine D|nummularine-D

C30H40N4O4 (520.30494)

17alpha-H-periplogenin 3-O-beta-D-digitoxoside|3beta-(beta-D-ribo-2,6-dideoxy-hexopyranosyloxy)-5,14-dihydroxy-5beta,14beta-L-card-20(22)-enolide|3beta-(beta-D-ribo-2,6-Didesoxy-hexopyranosyloxy)-5,14-dihydroxy-5beta,14beta-L-card-20(22)-enolid|periplogenin 3-O-beta-D-digitoxopyranoside|periplogenin 3-O-beta-digitoxoside

17alpha-H-periplogenin 3-O-beta-D-digitoxoside|3beta-(beta-D-ribo-2,6-dideoxy-hexopyranosyloxy)-5,14-dihydroxy-5beta,14beta-L-card-20(22)-enolide|3beta-(beta-D-ribo-2,6-Didesoxy-hexopyranosyloxy)-5,14-dihydroxy-5beta,14beta-L-card-20(22)-enolid|periplogenin 3-O-beta-D-digitoxopyranoside|periplogenin 3-O-beta-digitoxoside

C29H44O8 (520.3036024)