Exact Mass: 522.3457
Exact Mass Matches: 522.3457
Found 433 metabolites which its exact mass value is equals to given mass value 522.3457,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Oleoylglycerophosphocholine
Polysorbate 20
Polysorbate 20 is an emulsifier, dough improver, crystallisation retarder, solubiliser, stabiliser, flavour dispersant, wetting agent, fruit or vegetable coating, defoamer for yeast/sugar.Polysorbates are a class of emulsifiers used in some pharmaceuticals and food preparation. They are often used in cosmetics to solubilize essential oils into water-based products. Polysorbates are oily liquids derived from PEG-ylated sorbitan (a derivative of sorbitol) esterified with fatty acids. (Wikipedia). Emulsifier, stabiliser, flavouring agent, dispersant
Metabolite M6
Metabolite M6 is a metabolite of indinavir. Indinavir (IDV; trade name Crixivan, manufactured by Merck) is a protease inhibitor used as a component of highly active antiretroviral therapy (HAART) to treat HIV infection and AIDS. (Wikipedia)
LysoPA(24:0/0:0)
LysoPA(24:0/0:0) 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(24:0/0:0), in particular, consists of one chain of lignoceric 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.
LysoPA(i-24:0/0:0)
LysoPA(i-24:0/0:0) 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(i-24:0/0:0), in particular, consists of one chain of isotetracosanoic 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.
PA(10:0/13:0)
PA(10:0/13:0) 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(10:0/13:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of tridecylic 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(8:0/15:0)
PA(8:0/15:0) 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(8:0/15:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of pentadecanoic 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/a-13:0)
PA(10:0/a-13:0) 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/a-13:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of anteisotridecanoic 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-13:0)
PA(10:0/i-13:0) 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-13:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of isotridecanoic 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/a-15:0)
PA(8:0/a-15:0) 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/a-15:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of anteisopentadecanoic 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-15:0)
PA(8:0/i-15:0) 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-15:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of isopentadecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
Cholylasparagine
Cholylasparagine 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. Cholylasparagine consists of the bile acid cholic 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 Cholylasparagine, 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). Cholylasparagine 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).
DG(10:0/18:2(10E,12Z)+=O(9)/0:0)
DG(10:0/18:2(10E,12Z)+=O(9)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/18:2(10E,12Z)+=O(9)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:2(10E,12Z)+=O(9)/10:0/0:0)
DG(18:2(10E,12Z)+=O(9)/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:2(10E,12Z)+=O(9)/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/18:2(10E,12Z)+=O(9))
DG(10:0/0:0/18:2(10E,12Z)+=O(9)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:2(10E,12Z)+=O(9)/0:0/10:0)
DG(18:2(10E,12Z)+=O(9)/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(10:0/18:2(9Z,11E)+=O(13)/0:0)
DG(10:0/18:2(9Z,11E)+=O(13)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/18:2(9Z,11E)+=O(13)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:2(9Z,11E)+=O(13)/10:0/0:0)
DG(18:2(9Z,11E)+=O(13)/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:2(9Z,11E)+=O(13)/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/18:2(9Z,11E)+=O(13))
DG(10:0/0:0/18:2(9Z,11E)+=O(13)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:2(9Z,11E)+=O(13)/0:0/10:0)
DG(18:2(9Z,11E)+=O(13)/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(10:0/18:3(10,12,15)-OH(9)/0:0)
DG(10:0/18:3(10,12,15)-OH(9)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/18:3(10,12,15)-OH(9)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:3(10,12,15)-OH(9)/10:0/0:0)
DG(18:3(10,12,15)-OH(9)/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:3(10,12,15)-OH(9)/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/18:3(10,12,15)-OH(9))
DG(10:0/0:0/18:3(10,12,15)-OH(9)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:3(10,12,15)-OH(9)/0:0/10:0)
DG(18:3(10,12,15)-OH(9)/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(10:0/18:3(9,11,15)-OH(13)/0:0)
DG(10:0/18:3(9,11,15)-OH(13)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/18:3(9,11,15)-OH(13)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:3(9,11,15)-OH(13)/10:0/0:0)
DG(18:3(9,11,15)-OH(13)/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:3(9,11,15)-OH(13)/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/18:3(9,11,15)-OH(13))
DG(10:0/0:0/18:3(9,11,15)-OH(13)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:3(9,11,15)-OH(13)/0:0/10:0)
DG(18:3(9,11,15)-OH(13)/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(8:0/20:3(6,8,11)-OH(5)/0:0)
DG(8:0/20:3(6,8,11)-OH(5)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/20:3(6,8,11)-OH(5)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:3(6,8,11)-OH(5)/8:0/0:0)
DG(20:3(6,8,11)-OH(5)/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:3(6,8,11)-OH(5)/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/20:3(6,8,11)-OH(5))
DG(8:0/0:0/20:3(6,8,11)-OH(5)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(20:3(6,8,11)-OH(5)/0:0/8:0)
DG(20:3(6,8,11)-OH(5)/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Polysorbate 80
Emulsifier, surfactant in production of coarse cryst. NaCl, stabiliser, wetting agent in poultry scalds, colour diluent, flavour. Polysorbate 80 is a nonionic surfactant and emulsifier derived from polyethoxylated sorbitan and oleic acid, and is often used in foods. Polysorbate 80 is a viscous, water-soluble yellow Liquid. Emulsifier, surfactant in production of coarse cryst. NaCl, stabiliser, wetting agent in poultry scalds, colour diluent, flavour
20-Hydroxyecdysone 2-acetate
2-O-Acetyl-20-hydroxyecdysone, an ecdysterones in insects and terrestrial plants, inhibits amyloid-β42 (Aβ42)-induced cytotoxicity. 2-O-Acetyl-20-hydroxyecdysone could decrease Aβ oligomer formation through promotion of fibrogenesis, transforming Aβ oligomers to the low-toxicity fibrils[1].
CID 154831723
4-({5-[5-hydroxy-3-({[(2Z)-2-methylbut-2-enoyl]oxy}methyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}methoxy)-4-oxobutanoic acid
[3,4,6-Trihydroxy-6-[2-(1,3-oxazol-5-ylmethyl)-1,3-oxazol-4-yl]hexan-2-yl] pentadecanoate
3-O-acetylteikagenin-3-O-beta-D-fucopyranoside (basikoside B)|3-O-acetylteikagenin-3-O-beta-D-fucopyranoside
3,4-seco-olean-12-en-4,7alpha,15alpha,22alpha,24-pentaol-3-oic acid
methyl (13Z,15E,17E,22E)-3beta-acetoxy-12-oxomalabarica-13,15,17,22,24-pentaen-28-oate
(3beta,9beta,14beta)-14-hydroxy-9,19-cyclocholan-3-yl beta-D-glucopyranoside
(+)-(20S)-20-(dimethylamino)-3alpha-(methylbenzoylamino)-5alpha-pregn-12beta-yl acetate
(3beta,14beta,17beta)-3,14,17-trihydroxy-21-methoxypregn-5-en-20-one-3-O-beta-cymaropyranoside|perisepiumoside D
2beta,3beta,14alpha,20beta-tetrahydroxy-22alpha-(2-hydroxyacetoxy)-5beta-colest-7-en-6-one
schiprolactone A
A tetracyclic triterpenoid isolated from Schisandra propinqua and Schisandra henryi. It has been shown to exhibit cytotoxic activity against Leukemia cells.
13-epi-manoyl oxide-19-O-alpha-L-2,5-diacetoxyarabinofuranoside
Phe Thr Lys Lys
4-({5-[5-hydroxy-3-({[(2Z)-2-methylbut-2-enoyl]oxy}methyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}methoxy)-4-oxobutanoic acid_major
((4R)-4-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine
Phe Lys Lys Thr
Phe Lys Thr Lys
Lys Phe Lys Thr
Lys Phe Thr Lys
Lys Lys Phe Thr
Lys Lys Thr Phe
Lys Thr Phe Lys
Lys Thr Lys Phe
Thr Phe Lys Lys
Thr Lys Phe Lys
Thr Lys Lys Phe
(5Z,7E)-(1S,3R)-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
Alkest TW 20
D010592 - Pharmaceutic Aids > D014677 - Pharmaceutical Vehicles > D005079 - Excipients D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D013501 - Surface-Active Agents > D011136 - Polysorbates D001697 - Biomedical and Dental Materials
glas#22
An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#22 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans.
ST 29:3;O8
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3
2,2-dimethylpropane-1,3-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexane-1,6-diol,terephthalic acid
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexane-1,6-diol
butane-1,4-diol,1,6-diisocyanatohexane,hexanedioic acid,hexane-1,6-diol
1-O-{(12R)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tridecanoyl}-beta-D-glucopyranose
[(2S,3R,4S,6R)-2-[[(3E,5S,6S,7S,9R,11E,13E,15R,16R)-16-ethyl-15-(hydroxymethyl)-5,7,9-trimethyl-2,10-dioxo-1-oxacyclohexadeca-3,11,13-trien-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
[(2S)-3-hydroxy-2-octanoyloxypropyl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
[(2R)-2-hydroxy-3-octanoyloxypropyl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
[(2S)-2-hydroxy-3-octanoyloxypropyl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
[(2S)-2-decanoyloxy-3-hydroxypropyl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
[(2R)-3-decanoyloxy-2-hydroxypropyl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
[(2S)-3-decanoyloxy-2-hydroxypropyl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
[(2S)-2-decanoyloxy-3-hydroxypropyl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
[(2R)-3-decanoyloxy-2-hydroxypropyl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
[(2S)-3-decanoyloxy-2-hydroxypropyl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(E)-octadec-6-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
4-(aminomethyl)-N-[1-(octylamino)-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]-1-cyclohexanecarboxamide
(4r,7r,18e)-4,7-Dihydroxy-N,N,N-Trimethyl-10-Oxo-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium 4-Oxide
N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
((4R)-4-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine
2-[hydroxy-[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-octadec-6-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-3-hydroxy-2-[(Z)-octadec-6-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-2-acetyloxy-3-[(Z)-hexadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-methoxy-3-[(Z)-octadec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
2,3-dihydroxypropyl [2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoxy]propyl] hydrogen phosphate
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (9Z,12Z)-nonadeca-9,12-dienoate
[2-(Hexanoylamino)-3-hydroxypentadecyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Butanoylamino)-3-hydroxyheptadecyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Dodecanoylamino)-3-hydroxynonyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(nonanoylamino)dodecyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(propanoylamino)octadecyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Heptanoylamino)-3-hydroxytetradecyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(octanoylamino)tridecyl] 2-(trimethylazaniumyl)ethyl phosphate
(2-Acetamido-3-hydroxynonadecyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(pentanoylamino)hexadecyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Decanoylamino)-3-hydroxyundecyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(undecanoylamino)decyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(tridecanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) icosanoate
(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) tetradecanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) heptadecanoate
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) hexadecanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) octadecanoate
(1-Octanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) nonadecanoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) henicosanoate
(1-Phosphonooxy-3-undecanoyloxypropan-2-yl) dodecanoate
(1-Decanoyloxy-3-phosphonooxypropan-2-yl) tridecanoate
2-[[2-acetyloxy-3-[(Z)-hexadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-6-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] dodecanoate
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-4-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-octadec-17-enoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-13-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[1-carboxy-3-[2-hydroxy-3-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]propyl]-trimethylazanium
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] tridecanoate
2-[hydroxy-[3-hydroxy-2-[(Z)-octadec-4-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-7-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] dodecanoate
[1-carboxy-3-[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-propanoyloxypropoxy]propyl]-trimethylazanium
[1-carboxy-3-[2-hydroxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropoxy]propyl]-trimethylazanium
2-[[2-butanoyloxy-3-[(Z)-tetradec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-propanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(Z)-nonadec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-[(Z)-16,16,17,17,18,18,18-heptadeuteriooctadec-9-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-pentanoyloxy-3-[(Z)-tridec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-[(Z)-pentadec-9-enoxy]-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] 10-methyldodecanoate
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] pentadecanoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] tridecanoate
ubiquinone-5
A compound composed of the 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of five isoprenoid units.
(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-8-yl acetate
(4s,5s,6e,8e,11z,26z)-4,5-dihydroxy-16λ⁵,22-diazahexacyclo[16.15.1.1¹,¹⁶.0²,²².0³,¹⁶.0³,¹⁹]pentatriaconta-6,8,11,26-tetraen-16-ylium-35-olate
(2e)-3-[(1s,2s,4as,6s,7r,8s,8ar)-6,7-dihydroxy-3,4a,8-trimethyl-2-[(2e,5r,7s,8r,9r)-5,7,9-trihydroxy-8,10-dimethylundec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-2-methylprop-2-enoic acid
4-hydroxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.0¹,³.0⁴,⁸]tetradecan-14-yl 3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
2-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-hydroxy-6-methylheptan-3-yl 2-hydroxyacetate
1-[1-(dimethylamino)ethyl]-9a,11a-dimethyl-7-(n-methylbenzamido)-tetradecahydro-1h-cyclopenta[a]phenanthren-6-yl acetate
(1r,3s,4r,7s,8s,10r,11s,14r)-4-hydroxy-7,10,11-trimethyl-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
(2e)-3-(3,4-dimethoxyphenyl)-1-[(8s)-6-hydroxy-8-phenyl-1,5,9,13-tetraazacycloheptadec-5-en-1-yl]prop-2-en-1-one
(9r,13s,16r,17r,18s)-8,8,13,17-tetramethyl-16-[(1s)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-18-yl acetate
(1r,3s,5r,7r,8r,10s,13s,14r,15r,18r)-6,6,10,14,18-pentamethyl-15-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-7,8,13-triol
(1r,3r,4r,5s,7r,11r,16s)-3,7,12,12,16-pentamethyl-4-[(2r)-1-[(2s)-4-methyl-5-oxo-2h-furan-2-yl]propan-2-yl]-13-oxo-18-oxapentacyclo[13.2.1.0³,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-8(17),14-dien-5-yl acetate
2-{[12-hydroxy-16-methyl-15-(pentan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,3r,7r,8s,10r)-7-methyl-1,8,10-tris(3-methylbut-2-en-1-yl)-2,11,13-trioxo-4-(sec-butyl)-12-oxatricyclo[8.2.1.0³,⁷]tridec-4-ene-5-carbaldehyde
(1r,3ar,3br,4r,5ar,9ar,9br,11ar)-1-hydroxy-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,3ah,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
(2s)-2-({[(3r,4e)-1-[(2s)-6-carbamimidamido-2-[(1-hydroxy-3-methylbutylidene)amino]hexanoyl]-4-ethylidene-3-methylpyrrolidin-2-yl](hydroxy)methylidene}amino)-4-methylpentanoic acid
[(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] acetate
{"Ingredient_id": "HBIN010866","Ingredient_name": "[(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] acetate","Alias": "acetic acid [(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(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]hexyl] ester; acetic acid [(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] ester; [(5R,6R)-5,6-dihydroxy-2-methyl-6-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] ethanoate; [(5R,6R)-5,6-dihydroxy-2-methyl-6-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate","Ingredient_formula": "C29H46O8","Ingredient_Smile": "NA","Ingredient_weight": "522.67","OB_score": "11.09174815","CAS_id": "22033-96-1","SymMap_id": "SMIT09285","TCMID_id": "NA","TCMSP_id": "MOL007941","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
