Exact Mass: 536.321
Exact Mass Matches: 536.321
Found 500 metabolites which its exact mass value is equals to given mass value 536.321
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
rhodexin A
Corchorosol A
Constituent of Corchorus olitorius (Jews mallow). Corchorosol A is found in tea, herbs and spices, and green vegetables. Corchorosol A is found in green vegetables. Corchorosol A is a constituent of Corchorus olitorius (Jews mallow).
PA(8:0/16:0)
PA(8:0/16:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/16:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of palmitic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(10:0/i-14:0)
PA(10:0/i-14:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(10:0/i-14:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of isotetradecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(8:0/i-16:0)
PA(8:0/i-16:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/i-16:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of isohexadecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(i-12:0/i-12:0)
PA(i-12:0/i-12:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(i-12:0/i-12:0), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
Cholylglutamine
Cholylglutamine 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. Cholylglutamine consists of the bile acid cholic 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 Cholylglutamine, 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). Cholylglutamine 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).
Senegenin
Senegin
Senegenin is a 12alpha-hydroxy steroid. Tenuigenin is a natural product found in Polygala senega with data available. Tenuigenin is a major active component isolated from the root of the Chinese herb Polygala tenuifolia. Tenuigenin protects against S.aureus-induced pneumonia by inhibiting NF-κB activation. Tenuigenin has anti-inflammatory effect[1]. Tenuigenin is a major active component isolated from the root of the Chinese herb Polygala tenuifolia. Tenuigenin protects against S.aureus-induced pneumonia by inhibiting NF-κB activation. Tenuigenin has anti-inflammatory effect[1].
Senegin
Senegenin is a 12alpha-hydroxy steroid. Tenuigenin is a natural product found in Polygala senega with data available. Tenuigenin is a major active component isolated from the root of the Chinese herb Polygala tenuifolia. Tenuigenin protects against S.aureus-induced pneumonia by inhibiting NF-κB activation. Tenuigenin has anti-inflammatory effect[1]. Tenuigenin is a major active component isolated from the root of the Chinese herb Polygala tenuifolia. Tenuigenin protects against S.aureus-induced pneumonia by inhibiting NF-κB activation. Tenuigenin has anti-inflammatory effect[1].
2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide
3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-xylopyranoside
9,10-epoxy-5beta-O-tigloyl-6alpha-o-acetyl-7alphaH-8beta-O-(3-acetoxy-2-methylbutyryl)germacra-3(4)E-ene|trijugin E
3-O-D-Allomethyloside-(3beta,5alpha,14beta,17alphaOH)-3,14,17-Trihydroxycard-20(22)-enolide
(2beta,3alpha,6alpha)-2,3,6,20,23,30-hexahydroxyurs-12-en-28-oic acid
2alpha,3beta-dihydroxy-9,9-dimethyl-3,4-(2,2-dimethyl-3beta-hydroxy-3,4-dihydro-2H-pyran)-8-(gamma,gamma-dimethylallyl)-2-(3-hydroxy-3-methylbutyl)-6-(1-oxo-2-methylpropyl)-8beta-H-cis-bicyclo[3.3.1]nona-1,5-dione|garcinielliptone H
3-sulfate of oleanolic acid|oleanolic acid 3-O-sulfate|oleanolic acid 3-sulfate|oleanolic acid sulfate
Melonovin B|Melonovine B|melonovine-B|N,N-dimethyl-L-valine (4S)-7t-(4-hydroxy-benzyl)-3t-isopropyl-5,8-dioxo-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide
rel-Labd-12-en-15(16)-olid-7-one-8R-spiro-1鈥樎?-[2S-(2,4,5-trimethoxyphenyl)-3-cyclohexene]
2beta,3alpha,16alpha,20(R),24(S),25-hexahydroxy-9-methyl-19-norlanost-5-en-11,22-dione
methyl 15,16-dideoxy-6alpha,15alpha,17beta-trihydroxy-15,17-oxidospongian-16-carboxylate 6-butyrate 15,17-diacetate
[17-[(4-Hydroxyphenyl)methyl]-18,23-dioxo-1,6,10,22-tetrazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl] acetate
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1,2-Dilauroyl-sn-glycero-3-phosphate
A 1-acyl-2-dodecanoyl-sn-glycerol-3-phosphate in which the 1-acyl group is also dodecanoyl (lauroyl). Acquisition and generation of the data is financially supported in part by CREST/JST.
1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt
C29H44O9_Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-14-hydroxy-, (3beta,9xi)
Glutamine conjugated cholic acid
Ala Lys Arg Tyr
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FTY720 phenoxy-biotin
Helveticosol
glas#24
An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#24 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans.
ST 30:3;O8
Rhapocasterone B
Rhapocasterone A
Actodigine
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent
FMOC-(3S,4S)-4-AMINO-3-HYDROXY-PENTANOIC ACID DCHA
Glucodigitoxigenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
1-O-{(13R)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradecanoyl}-beta-D-glucopyranose
(2-Dodecanoyloxy-3-phosphonooxypropyl) dodecanoate
[(3S)-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-[[(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-2-carboxy-3,6-dihydro-2H-pyran-3-yl]amino]-5-oxopentyl]-(diaminomethylidene)-methylazanium
[3-carboxy-2-[(4E,7E,11E)-10-hydroperoxy-12-[6-[(E)-pent-2-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]dodeca-4,7,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[3-[6-[(1Z,5E,8E,11E)-3-hydroperoxytetradeca-1,5,8,11-tetraenyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]propanoyloxy]propyl]-trimethylazanium
[3-carboxy-2-[(E)-6-[6-[(1E,5Z,8E)-3-hydroperoxyundeca-1,5,8-trienyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hex-4-enoyl]oxypropyl]-trimethylazanium
sodium globostellatate D
An organic sodium salt that is the monosodium salt of globostellatic acid D. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells.
(3beta,9xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
[(E)-[(1R,4aR,4bS,8aS,10aS)-1-[2-(furan-3-yl)ethyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ylidene]methyl] sulfate;1,1-dimethylguanidine
3-[(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-4-[oxo(1-piperidinyl)methyl]-5-phenyl-5H-oxazol-4-yl]propanoic acid tert-butyl ester
N-[(5S,6R,9R)-8-[cyclohexyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyridinecarboxamide
3-[(3S,5S,10R,13R,14S)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
2-[[(2R)-2-acetyloxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2,3-dihydroxypropyl [3-[(11Z,14Z)-henicosa-11,14-dienoxy]-2-hydroxypropyl] hydrogen phosphate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) docosanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) nonadecanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) henicosanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) octadecanoate
(1-Octanoyloxy-3-phosphonooxypropan-2-yl) hexadecanoate
(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) icosanoate
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) heptadecanoate
(1-Decanoyloxy-3-phosphonooxypropan-2-yl) tetradecanoate
(1-Phosphonooxy-3-undecanoyloxypropan-2-yl) tridecanoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] tetradecanoate
[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] tridecanoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] tetradecanoate
[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] tridecanoate
2-[[3-acetyloxy-2-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-pentanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-[(Z)-pentadec-9-enoyl]oxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
1-(11Z,14Z-eicosadienoyl)-glycero-3-phospho-(1-sn-glycerol)
4-{3-[(1s,5as,7r,8s,9ar,11ar)-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxybutyl}-3,5-dimethyloxolan-2-one
(4r,4ar,5s,6r,8s,8ar)-5-[(3ar,6as)-hexahydrofuro[2,3-b]furan-2-yl]-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate
12,20-dihydroxy-22-[1-hydroxy-1-(3-hydroxyphenyl)propan-2-yl]-3,13,17-trimethyl-1-oxacyclodocosa-3,5,7,9,13,15-hexaen-2-one
3a,5a,7,8-tetrahydroxy-1-[5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
5-(acetyloxy)-n-{3-[(2s,5s)-5-(3-{[5-(acetyloxy)-1-hydroxy-3-methylpent-2-en-1-ylidene]amino}propyl)-3,6-dihydroxy-2,5-dihydropyrazin-2-yl]propyl}-3-methylpent-2-enimidic acid
4-[(1r,3as,3br,5ar,7s,9as,9bs,10r,11ar)-3a,10-dihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
4-[(1r,3as,3bs,5ar,7s,9as,9br,11ar)-3a-hydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
4-[(1r,3as,3br,5ar,7r,9r,9as,9bs,11ar)-3a,9-dihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(3e,5e,7e,9e,12r,13e,15e,17r,20s,22s)-12,20-dihydroxy-22-[(1r,2s)-1-hydroxy-1-(3-hydroxyphenyl)propan-2-yl]-3,13,17-trimethyl-1-oxacyclodocosa-3,5,7,9,13,15-hexaen-2-one
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-9a-(hydroxymethyl)-11a-methyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
4-[(1r,3as,3br,5as,7s,9as,9bs,10r,11ar)-3a,10-dihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
4-{2,3a-dihydroxy-9a,11a-dimethyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-tetradecahydrocyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
(3e)-3-{2-[(1r,1'r,2s,4'as,8'as)-5',5',8'a-trimethyl-3'-oxo-2-(2,4,5-trimethoxyphenyl)-1',4',4'a,6',7',8'-hexahydrospiro[cyclohexane-1,2'-naphthalen]-3-en-1'-yl]ethylidene}oxolan-2-one
2,3-dihydro-3β-methoxyixocarpalactone a
{"Ingredient_id": "HBIN003989","Ingredient_name": "2,3-dihydro-3\u03b2-methoxyixocarpalactone a","Alias": "NA","Ingredient_formula": "C29H44O9","Ingredient_Smile": "CC1C(C(=O)OC1C(C(C)(C2C(CC3C2(CCC4C3CC5C6(C4(C(=O)CC(C6O)OC)C)O5)C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5670","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}