Exact Mass: 523.3176666
Exact Mass Matches: 523.3176666
Found 406 metabolites which its exact mass value is equals to given mass value 523.3176666,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Calcimycin
C29H37N3O6 (523.2682222000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D007476 - Ionophores > D061207 - Calcium Ionophores D049990 - Membrane Transport Modulators C254 - Anti-Infective Agent > C258 - Antibiotic Calcimycin (A-23187) is an antibiotic and a unique divalent cation ionophore (like calcium and magnesium). Calcimycin induces Ca2+-dependent cell death by increasing intracellular calcium concentration. Calcimycin inhibits the growth of Gram-positive bacteria and some fungi. Calcimycin also inhibits the activity of ATPase and uncouples oxidative phosphorylation (OXPHOS) of mammalian cells. Calcimycin induces apoptosis[1][2][3][4].
LysoPC(0:0/18:0)
LysoPC(0:0/18:0) or LPC(0:0/18:0) is a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylcholine is found in small amounts in most tissues. It is formed by hydrolysis of phosphatidylcholine by the enzyme phospholipase A2, as part of the de-acylation/re-acylation cycle that controls its overall molecular species composition. It can also be formed inadvertently during extraction of lipids from tissues if the phospholipase is activated by careless handling. There is also a phospholipase A1, which is able to cleave the sn-1 ester bond. Lysophosphatidylcholine has pro-inflammatory properties in vitro and it is known to be a pathological component of oxidized lipoproteins (LDL) in plasma and of atherosclerotic lesions. Recently, it has been found to have some functions in cell signalling, and specific receptors (coupled to G proteins) have been identified. It activates the specific phospholipase C that releases diacylglycerols and inositol triphosphate with resultant increases in intracellular Ca2+ and activation of protein kinase C. It also activates the mitogen-activated protein kinase in certain cell types.LysoPC(0:0/18:0) has been shown to be protective against lethal sepsis in experimental animals by various mechanisms, including stimulation of neutrophils to eliminate invading pathogens through a peroxide-dependent reaction. LysoPC(0:0/18:0) or LPC(0:0/18:0) is a lysophospholipid (LPL). LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. LysoPC(0:0/18:0) has been shown to be protective against lethal sepsis in experimental animals by various mechanisms, including stimulation of neutrophils to eliminate invading pathogens through a peroxide-dependent reaction. [HMDB]
LysoPC(18:0/0:0)
LysoPC(18:0) is a lysophospholipid (LyP). It is a monoglycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. Lysophosphatidylcholines can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) position. Fatty acids containing 16, 18 and 20 carbons are the most common. LysoPC(18:0), in particular, consists of one chain of stearic acid at the C-1 position. The stearic acid moiety is derived from animal fats, coco butter and sesame oil. Lysophosphatidylcholine is found in small amounts in most tissues. It is formed by hydrolysis of phosphatidylcholine by the enzyme phospholipase A2, as part of the de-acylation/re-acylation cycle that controls its overall molecular species composition. It can also be formed inadvertently during extraction of lipids from tissues if the phospholipase is activated by careless handling. In blood plasma significant amounts of lysophosphatidylcholine are formed by a specific enzyme system, lecithin:cholesterol acyltransferase (LCAT), which is secreted from the liver. The enzyme catalyzes the transfer of the fatty acids of position sn-2 of phosphatidylcholine to the free cholesterol in plasma, with formation of cholesterol esters and lysophosphatidylcholine. Lysophospholipids have a role in lipid signaling by acting on lysophospholipid receptors (LPL-R). LPL-Rs are members of the G protein-coupled receptor family of integral membrane proteins. [HMDB] LysoPC(18:0) is a lysophospholipid (LyP). It is a monoglycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. Lysophosphatidylcholines can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) position. Fatty acids containing 16, 18 and 20 carbons are the most common. LysoPC(18:0), in particular, consists of one chain of stearic acid at the C-1 position. The stearic acid moiety is derived from animal fats, coco butter and sesame oil. Lysophosphatidylcholine is found in small amounts in most tissues. It is formed by hydrolysis of phosphatidylcholine by the enzyme phospholipase A2, as part of the de-acylation/re-acylation cycle that controls its overall molecular species composition. It can also be formed inadvertently during extraction of lipids from tissues if the phospholipase is activated by careless handling. In blood plasma significant amounts of lysophosphatidylcholine are formed by a specific enzyme system, lecithin:cholesterol acyltransferase (LCAT), which is secreted from the liver. The enzyme catalyzes the transfer of the fatty acids of position sn-2 of phosphatidylcholine to the free cholesterol in plasma, with formation of cholesterol esters and lysophosphatidylcholine. Lysophospholipids have a role in lipid signaling by acting on lysophospholipid receptors (LPL-R). LPL-Rs are members of the G protein-coupled receptor family of integral membrane proteins.
LPS(18:1)
1-Oleoylglycerophosphoserine is a phosphatidylserine. It is a glycerophospholipid in which a phosphorylserine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PS(18:1(9Z)/0:0), in particular, consists of two 9Z-octadecenoyl chains at positions C-1 and C-2. Phosphatidylserine or 1,2-diacyl-sn-glycero-3-phospho-L-serine is distributed widely among animals, plants and microorganisms. Phosphatidylserine is an acidic (anionic) phospholipid with three ionizable groups, i.e. the phosphate moiety, the amino group and the carboxyl function. As with other acidic lipids, it exists in nature in salt form, but it has a high propensity to chelate to calcium via the charged oxygen atoms of both the carboxyl and phosphate moieties, modifying the conformation of the polar head group. This interaction may be of considerable relevance to the biological function of phosphatidylserine. While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Phosphatidylserines typically carry a net charge of -1 at physiological pH. They mostly have palmitic or stearic acid on carbon 1 and a long chain unsaturated fatty acid (e.g. 18:2, 20:4 and 22:6) on carbon 2. PS biosynthesis involves an exchange reaction of serine for ethanolamine in PE.
Platelet-activating factor
Platelet-activating factor, also known as PAF and PC(O-16:0/2:0), is a ubiquitous, potent phospholipid activator and mediator of inflammation that has an important role in the pathogenesis of inflammatory disorders and cardiovascular disease. PAF is able to cause platelet aggregation and anaphylaxis. PAF is synthesized continuously in low quantities in many different types of cells, but especially those involved in host defence, such as macrophages, monocytes, granulocytes, neutrophils, platelets, and endothelial cells. Platelet-activating factor receptor (PAFR) is a G-protein coupled receptor (GPCR) located on the cell membranes of a variety of cells. Once bound to its receptor, PAF mobilizes calcium and activates a wide range of signalling pathways (e.g. phospholipase C-mediated signalling (PMID: 26616844). C16-PAF (PAF (C16)), a phospholipid mediator, is a platelet-activating factor and ligand for PAF G-protein-coupled receptor (PAFR). C16-PAF exhibits anti-apoptotic effect and inhibits caspase-dependent death by activating the PAFR. C16-PAF is a potent MAPK and MEK/ERK activator. C16-PAF induces increased vascular permeability[1][2][3][4][5].
LysoPS(18:1(9Z)/0:0)
LysoPS(18:1(9Z)/0:0) is a lysophosphatidylserine. It is a glycerophospholipid in which a phosphorylserine moiety occupies a glycerol substitution site. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic. However, it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Lysophosphatidylserines 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. LysoPS(18:1(9Z)/0:0), in particular, consists of one chain of oleic acid at the C-1 position.
Cholylaspartic acid
Cholylaspartic acid 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. Cholylaspartic acid consists of the bile acid cholic acid conjugated to the amino acid Aspartic acid 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 Cholylaspartic acid, 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). Cholylaspartic acid 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).
Chenodeoxycholylmethionine
C29H49NO5S (523.3331264000001)
Chenodeoxycholylmethionine 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. Chenodeoxycholylmethionine consists of the bile acid chenodeoxycholic acid conjugated to the amino acid Methionine 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 Chenodeoxycholylmethionine, 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). Chenodeoxycholylmethionine 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).
1-(Tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea
C28H41N7O3 (523.3270716000001)
4-Chloro-2-nitrobenzylalcohol
C29H37N3O6 (523.2682222000001)
Calcimycin (A-23187) is an antibiotic and a unique divalent cation ionophore (like calcium and magnesium). Calcimycin induces Ca2+-dependent cell death by increasing intracellular calcium concentration. Calcimycin inhibits the growth of Gram-positive bacteria and some fungi. Calcimycin also inhibits the activity of ATPase and uncouples oxidative phosphorylation (OXPHOS) of mammalian cells. Calcimycin induces apoptosis[1][2][3][4].
2-Lysophosphatidylcholine
Tyr Val Ser Arg
PD173074
C28H41N7O3 (523.3270716000001)
3,4,5-tris(benzyloxy)-2-((benzyloxy)methyl)piperidine
His Val Ile Arg
C16-PAF
C16-PAF (PAF (C16)), a phospholipid mediator, is a platelet-activating factor and ligand for PAF G-protein-coupled receptor (PAFR). C16-PAF exhibits anti-apoptotic effect and inhibits caspase-dependent death by activating the PAFR. C16-PAF is a potent MAPK and MEK/ERK activator. C16-PAF induces increased vascular permeability[1][2][3][4][5].
Tobramycin, N-propionyl derivative likely
C21H41N5O10 (523.2853286000001)
LPC 18:0
CONFIDENCE standard compound; INTERNAL_ID 258
2-amino-3-[hydroxy-[2-hydroxy-3-[octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Lyso-PC 18:0
MALDI generates [M+H]+ ion, which is dissociated by the reaction with 3O (triplet O) generated by O2 microwave discharge (RID).; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of RID, and TOF analyzes the product ions.; This mass spectral data and fragment ions produced are shown in Figure S6_1 of the publication.; Relative intensity of the peaks m/z 180-199 are magnified by x5, those of the peaks m/z 200-507 by x100.; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL). MALDI generates a stable [M+H]+ ion. Microwave discharge of H2O generates OH*, H* and 3O (triplet O) radicals. These radicals react with the stable [M+H]+ ion and give a mixture of [M+H+H*], [M+H+O]+ and [M+H+OH*]+ ions. These are dissociated to give product ions, which are detected as RID product ions.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of RID, and TOF analyzes the product ions.; This mass spectral data is shown in Figure S5 of the publication. Fragment ions produced are annotated in Scheme 2 of the publication.; Relative Intensity is magnified; m/z 166-190 by x5, m/z 200-510 by x100.; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
Methionine conjugated chenodeoxycholic acid
C29H49NO5S (523.3331264000001)
((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)-L-aspartic acid
Phe Lys Met Val
Phe Lys Val Met
Phe Met Lys Val
Phe Met Val Lys
Phe Arg Thr Thr
Phe Thr Arg Thr
Phe Thr Thr Arg
Phe Val Lys Met
Phe Val Met Lys
His Ile Arg Val
His Ile Val Arg
His Leu Arg Val
His Leu Val Arg
His Arg Ile Val
His Arg Leu Val
His Arg Val Ile
His Arg Val Leu
His Val Leu Arg
His Val Arg Ile
His Val Arg Leu
Ile His Arg Val
Ile His Val Arg
Ile Lys Thr Tyr
Ile Lys Tyr Thr
Ile Arg His Val
Ile Arg Val His
Ile Thr Lys Tyr
Ile Thr Tyr Lys
Ile Val His Arg
Ile Val Arg His
Ile Tyr Lys Thr
Ile Tyr Thr Lys
Lys Phe Met Val
Lys Phe Val Met
Lys Ile Thr Tyr
Lys Ile Tyr Thr
Lys Leu Thr Tyr
Lys Leu Tyr Thr
Lys Met Phe Val
Lys Met Val Phe
Lys Thr Ile Tyr
Lys Thr Leu Tyr
Lys Thr Tyr Ile
Lys Thr Tyr Leu
Lys Val Phe Met
Lys Val Met Phe
Lys Tyr Ile Thr
Lys Tyr Leu Thr
Lys Tyr Thr Ile
Lys Tyr Thr Leu
Leu His Arg Val
Leu His Val Arg
Leu Lys Thr Tyr
Leu Lys Tyr Thr
Leu Arg His Val
Leu Arg Val His
Leu Thr Lys Tyr
Leu Thr Tyr Lys
Leu Val His Arg
Leu Val Arg His
Leu Tyr Lys Thr
Leu Tyr Thr Lys
Met Phe Lys Val
Met Phe Val Lys
Met Lys Phe Val
Met Lys Val Phe
Met Val Phe Lys
Met Val Lys Phe
Arg Phe Thr Thr
Arg His Ile Val
Arg His Leu Val
Arg His Val Ile
Arg His Val Leu
Arg Ile His Val
Arg Ile Val His
Arg Leu His Val
Arg Leu Val His
Arg Ser Val Tyr
Arg Ser Tyr Val
Arg Thr Phe Thr
Arg Thr Thr Phe
Arg Val His Ile
Arg Val His Leu
Arg Val Ile His
Arg Val Leu His
Arg Val Ser Tyr
Arg Val Tyr Ser
Arg Tyr Ser Val
Arg Tyr Val Ser
Ser Arg Val Tyr
Ser Arg Tyr Val
Ser Val Arg Tyr
Ser Val Tyr Arg
Ser Tyr Arg Val
Ser Tyr Val Arg
Thr Phe Arg Thr
Thr Phe Thr Arg
Thr Ile Lys Tyr
Thr Ile Tyr Lys
Thr Lys Ile Tyr
Thr Lys Leu Tyr
Thr Lys Tyr Ile
Thr Lys Tyr Leu
Thr Leu Lys Tyr
Thr Leu Tyr Lys
Thr Arg Phe Thr
Thr Arg Thr Phe
Thr Thr Phe Arg
Thr Thr Arg Phe
Thr Tyr Ile Lys
Thr Tyr Lys Ile
Thr Tyr Lys Leu
Thr Tyr Leu Lys
Val Phe Lys Met
Val Phe Met Lys
Val His Ile Arg
Val His Leu Arg
Val His Arg Ile
Val His Arg Leu
Val Ile His Arg
Val Ile Arg His
Val Lys Phe Met
Val Lys Met Phe
Val Leu His Arg
Val Leu Arg His
Val Met Phe Lys
Val Met Lys Phe
Val Arg His Ile
Val Arg His Leu
Val Arg Ile His
Val Arg Leu His
Val Arg Ser Tyr
Val Arg Tyr Ser
Val Ser Arg Tyr
Val Ser Tyr Arg
Val Tyr Arg Ser
Val Tyr Ser Arg
Tyr Ile Lys Thr
Tyr Ile Thr Lys
Tyr Lys Ile Thr
Tyr Lys Leu Thr
Tyr Lys Thr Ile
Tyr Lys Thr Leu
Tyr Leu Lys Thr
Tyr Leu Thr Lys
Tyr Arg Ser Val
Tyr Arg Val Ser
Tyr Ser Arg Val
Tyr Ser Val Arg
Tyr Thr Ile Lys
Tyr Thr Lys Ile
Tyr Thr Lys Leu
Tyr Thr Leu Lys
Tyr Val Arg Ser
Platelet-activating factor
PC(2:0/O-16:0)[U]
PC(18:0/0:0)[S]
PC(0:0/18:0)
PC(0:0/18:0)[S]
PE(10:0/10:0)[U]
PE(9:0/11:0)[U]
PE(10:0/10:0)
PS(18:1/0:0)
PS(18:1/0:0)[U]
Deoxynojirimycin Tetrabenzyl Ether
PD 173074
C28H41N7O3 (523.3270716000001)
NA 27:7;O8
LPS 18:1
benzenamine, 2,4-bis(1-methyl-1-phenylethyl)-n-[4-(1-methyl-1-phenylethyl)pheny
sodium,2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate,dihydrate
N-(2-aminoethyl)ethane-1,2-diamine,2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,4-methylpentan-2-one
1-O-HEXADECYL-2-ACETYL-SN-GLYCERO-3-PHOSPHOCHOLINE
(2-Acetyloxy-3-hexadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
N-[(4S,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
C29H37N3O6 (523.2682222000001)
N-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
C29H37N3O6 (523.2682222000001)
N-[(4S,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
C29H37N3O6 (523.2682222000001)
1-cyclohexyl-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C29H37N3O6 (523.2682222000001)
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C29H37N3O6 (523.2682222000001)
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C29H37N3O6 (523.2682222000001)
1-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
C29H37N3O6 (523.2682222000001)
N-[(4R,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
C29H37N3O6 (523.2682222000001)
N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
C29H37N3O6 (523.2682222000001)
N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C29H37N3O6 (523.2682222000001)
1-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-cyclohexyl-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C29H37N3O6 (523.2682222000001)
1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
C29H37N3O6 (523.2682222000001)
1-cyclohexyl-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
1-[[(2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
N-[(4R,7R,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-methoxybenzamide
C29H37N3O6 (523.2682222000001)
N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
C29H37N3O6 (523.2682222000001)
N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
C29H37N3O6 (523.2682222000001)
2-[[(4R,7R,8S)-14-[[cyclopropyl(oxo)methyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]methyl]benzoic acid
C29H37N3O6 (523.2682222000001)
2-amino-3-[hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
(2-Nonanoyloxy-3-octanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] decanoate
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] henicosanoate
(2-Decanoyloxy-3-octoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(2-Nonanoyloxy-3-nonoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl] tridecanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecoxypropan-2-yl] octanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-nonoxypropan-2-yl] dodecanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-pentadecoxypropan-2-yl] hexanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecoxypropan-2-yl] nonanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecoxypropan-2-yl] butanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-nonadecoxypropan-2-yl] acetate
(3-Dodecoxy-2-hexanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(2-Heptanoyloxy-3-undecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(2-Pentanoyloxy-3-tridecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(3-Pentadecoxy-2-propanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(3-Decoxy-2-octanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(E)-3-hydroxy-2-[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]amino]undec-4-ene-1-sulfonic acid
C29H49NO5S (523.3331264000001)
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-decoxypropan-2-yl] undecanoate
(E)-2-[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]amino]-3-hydroxytridec-4-ene-1-sulfonic acid
C29H49NO5S (523.3331264000001)
(4E,8E)-2-[[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]amino]-3-hydroxytrideca-4,8-diene-1-sulfonic acid
C29H49NO5S (523.3331264000001)
3-hydroxy-2-[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]amino]undecane-1-sulfonic acid
C29H49NO5S (523.3331264000001)
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-undecoxypropan-2-yl] decanoate
4-[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-propanoyloxypropoxy]-2-(trimethylazaniumyl)butanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] propanoate
(2-Butanoyloxy-3-tetradecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecoxypropan-2-yl] heptanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] pentanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] undecanoate
(E)-(2R,3S)-2-((1S)-1-Tert-butyldimethylsiloxyethyl)-3-(N-benzyl-tert-butyloxycabonylamino)-5-phenyl-4-pentenal
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] hexadecanoate
(2-Decanoyloxy-3-heptanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(3-Acetyloxy-2-pentadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] tridecanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] pentadecanoate
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] octadecanoate
(3-Butanoyloxy-2-tridecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(3-Hexanoyloxy-2-undecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] tetradecanoate
(3-Propanoyloxy-2-tetradecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] dodecanoate
(2-Dodecanoyloxy-3-pentanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] heptadecanoate
2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine
A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis.
1-Stearoyl-sn-glycero-3-phosphocholine
A lysophosphatidylcholine 18:0 in which the acyl substituent is located at position 1 and is specified as stearoyl.
FR901465
A spiro-epoxide with potent cytotoxic activity against human tumour cells. It is isolated from Pseudomonas sp. no.2663.
lysophosphatidylcholine 18:0
A lysophosphatidylcholine in which the acyl group has a fully saturated C18 chain and is attached to the glycero moiety at either position 1 or 2.
Lysophosphatidylcholine(0:0/18:0)
A 2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group contains 18 carbons and is fully saturated.
Lysophosphatidylcholine(18:0/0:0)
A 1-acyl-sn-glycero-3-phosphocholine in which the 1-acyl group contains 18 carbons and is fully saturated.
2-stearoyl-sn-glycero-3-phosphocholine
A lysophosphatidylcholine 18:0 in which the acyl group is specified as stearoyl (octadecanoyl) and is located at position 2.
MePC(17:0)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
PE(21:0)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
3-{[5-(3,4-dihydroxy-4-methylpentyl)-6-hydroxy-5,8a-dimethyl-1-methylidene-hexahydro-2h-naphthalen-2-yl]methyl}-1-(2-methylbut-3-en-2-yl)-3h-indol-2-one
(3s)-3-{[(2s,4ar,5s,6s,8as)-5-[(3s)-3,4-dihydroxy-4-methylpentyl]-6-hydroxy-5,8a-dimethyl-1-methylidene-hexahydro-2h-naphthalen-2-yl]methyl}-1-(2-methylbut-3-en-2-yl)-3h-indol-2-one
(3s,3ar,4s,6s,6ar,10s,12r,15r,15ar)-1,6,12-trihydroxy-3-[(4-methoxyphenyl)methyl]-4,10,12-trimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,15h-cycloundeca[d]isoindol-15-yl acetate
3-[(1r,3s,4s,8s,11s,12s,13r,14r,15s,16s,17s,18r,20s,23r)-12,14,15,16,18-pentahydroxy-8,12,23-trimethyl-21-oxo-22-oxa-6-azahexacyclo[18.2.1.0¹,¹⁷.0³,¹⁶.0⁴,¹³.0⁶,¹¹]tricosan-23-yl]propanoic acid
(2z,4s)-4-(acetyloxy)-n-[(2r,3r,5s,6s)-2,5-dimethyl-6-[(2e,4e)-3-methyl-5-[(3s,4r,5r,7r,8r)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]penta-2,4-dien-1-yl]oxan-3-yl]pent-2-enimidic acid
aconosine; 14-benzoyl,8-ac
{"Ingredient_id": "HBIN014589","Ingredient_name": "aconosine; 14-benzoyl,8-ac","Alias": "NA","Ingredient_formula": "C31H41NO6","Ingredient_Smile": "NA","Ingredient_weight": "523.66","OB_score": "NA","CAS_id": "126234-21-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7184","PubChem_id": "NA","DrugBank_id": "NA"}
(13r)-13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-13-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tridecan-5-one
(5s)-5-[(1s,3s,11r,16s,17e,19s,22s,24r)-3,19-dihydroxy-15,18,24-trimethyl-2-methylidene-25-oxa-7-azatetracyclo[20.2.1.0⁶,¹¹.0¹¹,¹⁶]pentacosa-6,14,17-trien-14-yl]-3-methyl-5h-furan-2-one
13-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-13-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tridecan-4-one
13-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-13-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tridecan-5-one
(3s,3ar,4s,6s,6ar,10s,12s,13r,15as)-3-benzyl-1,6-dihydroxy-13-methoxy-4,10,12-trimethyl-5-methylidene-15-oxo-3h,3ah,4h,6h,6ah,9h,10h,11h,13h,14h-cycloundeca[d]isoindol-12-yl acetate
(1r,2r,3s,4r,5r,6s,10s,12r,15s,18s,19r)-13-ethyl-6,18-dimethoxy-15-(methoxymethyl)-11-oxa-13-azahexacyclo[8.8.1.1²,⁵.0¹,¹².0³,⁸.0¹⁵,¹⁹]icos-8-en-4-yl benzoate
3-{12,14,15,16,18-pentahydroxy-8,12,23-trimethyl-21-oxo-22-oxa-6-azahexacyclo[18.2.1.0¹,¹⁷.0³,¹⁶.0⁴,¹³.0⁶,¹¹]tricosan-23-yl}propanoic acid
5-(methylamino)-2-{[(2r,3r,6s,8s,9r,11r)-3,9,11-trimethyl-8-[(2s)-1-oxo-1-(1h-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-2-yl]methyl}-1,3-benzoxazole-4-carboxylic acid
C29H37N3O6 (523.2682222000001)