Exact Mass: 520.3447
Exact Mass Matches: 520.3447
Found 157 metabolites which its exact mass value is equals to given mass value 520.3447,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
LysoPA(24:1(15Z)/0:0)
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
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
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).
Platycodigenin
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
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].
Ecdysterone 20,22-monoacetonide
Origin: Plant; SubCategory_DNP: The sterols, Cholestanes
Trachelosperogenin B
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).
(2beta,3beta,16beta,21beta)-2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid
(1beta,2alpha,3beta,16beta,19beta)-1,2,3,16,19-pentahydroxyolean-12-en-28-oic acid
(1beta,2alpha,3beta,19beta,23)-1,2,3,19,23-pentahydroxyolean-12-en-28-oic acid
2alpha-(3-angeloyloxy-2-hydroxy-2-methyl butyryloxy)-labd-7-en-15-oic acid|2alpha-<3-angeloyloxy-2-hydroxy-2-methyl butyryloxy>-labd-7-en-15-oic acid
16alpha-hydroxy protobassic acid|16alpha-hydroxyprotobassic acid|2beta,3beta,6beta,16alpha,23-pentahydroxyolean-12-en-28-oic acid
Phe Val Lys Lys
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Phe Lys Val Lys
Lys Phe Lys Val
Lys Phe Val Lys
Lys Lys Phe Val
Lys Lys Val Phe
Lys Val Phe Lys
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Val Phe Lys Lys
Val Lys Phe Lys
Val Lys Lys Phe
U-83836E
Superecdysone C
Superecdysone D
2-[Hydroxy-(2-hydroxy-3-octadeca-9,12-dienoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(2E,4E)-octadeca-2,4-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
(2-hydroxy-3-phosphonooxypropyl) (Z)-tetracos-13-enoate
2-[hydroxy-[2-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-3-hydroxy-2-[(9Z,12E)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(9E,11E)-octadeca-9,11-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-hydroxy-2-[(4Z,7Z)-octadeca-4,7-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(6E,9E)-octadeca-6,9-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[2-acetyloxy-3-[(9Z,12Z)-hexadeca-9,12-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(2s)-2-({[(3r,4e)-1-[(2s)-6-carbamimidamido-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]hexanoyl]-4-ethylidene-3-methylpyrrolidin-2-yl](hydroxy)methylidene}amino)-4-methylpentanoic acid
5-[7-({2-hydroxy-2-methyl-3-[(2-methylbut-2-enoyl)oxy]butanoyl}oxy)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid
2-methyl-2-[(1s,5s,6r,9s,10r,16s)-5,9,10-trimethyl-3-oxo-13-[(2r,4s,5r)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadec-13-en-6-yl]propanoic acid
3a,7,8-trihydroxy-1-[5-(4-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1r,3s,4r,8s,10r,11s,14r)-4-hydroxy-10,11-dimethyl-7-methylidene-2,5-dioxatetracyclo[8.4.0.0¹,³.0⁴,⁸]tetradecan-14-yl (2r,3s,4e)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
(1r,2r,4s,8r,10r,14s,17s,18r)-14-hydroxy-2,6,6,18-tetramethyl-17-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-5,7-dioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icos-12-en-11-one
1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
(1r,2r,3as,3br,7s,8s,9ar,9br,11ar)-1-[(2r)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
20-hydroxyecdysone-20,22-monoacetonide
{"Ingredient_id": "HBIN003411","Ingredient_name": "20-hydroxyecdysone-20,22-monoacetonide","Alias": "NA","Ingredient_formula": "C30H48O7","Ingredient_Smile": "CC1(OC(C(O1)(C)C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)CCC(C)(C)O)C","Ingredient_weight": "520.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10064","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101243097","DrugBank_id": "NA"}
20-hydroxyecdysone-2,3,acetonide
{"Ingredient_id": "HBIN003413","Ingredient_name": "20-hydroxyecdysone-2,3,acetonide","Alias": "NA","Ingredient_formula": "C30H48O7","Ingredient_Smile": "CC1(OC2CC3C(=O)C=C4C(C3(CC2O1)C)CCC5(C4(CCC5C(C)(C(CCC(C)(C)O)O)O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42190","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
