Exact Mass: 466.3258
Exact Mass Matches: 466.3258
Found 481 metabolites which its exact mass value is equals to given mass value 466.3258,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cephaeline
Cephaeline is a pyridoisoquinoline comprising emetam having a hydroxy group at the 6-position and methoxy substituents at the 7-, 10- and 11-positions. It derives from a hydride of an emetan. Cephaeline is a natural product found in Dorstenia psilurus, Pogonopus tubulosus, and other organisms with data available. Cephaeline is an alkaloid compound that belongs to the isoquinoline alkaloid family. It is naturally found in certain plant species, particularly those of the Cephalotaxus genus, which includes trees and shrubs native to East Asia and the Himalayas. Cephaeline is known for its pharmacological properties and has been the subject of various studies for its potential therapeutic applications. Chemically, cephaeline has a complex structure characterized by an isoquinoline core with additional functional groups attached. It is classified as a monoterpenoid indole alkaloid, reflecting its biosynthetic origin from the amino acid tryptophan. The presence of these functional groups contributes to its biological activity and pharmacological effects. In terms of its physical properties, cephaeline is typically a crystalline solid with a defined melting point. It is slightly soluble in water but more soluble in organic solvents, which is common for alkaloids of its class. The exact color and solubility characteristics can vary depending on the presence of impurities or derivatives. Cephaeline has been of interest in the field of pharmacognosy and drug discovery due to its potential therapeutic effects, including anti-cancer, anti-inflammatory, and neuroprotective properties. However, further research is needed to fully understand its mechanisms of action and potential uses in medicine. Annotation level-1 (-)-Cephaeline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=483-17-0 (retrieved 2024-07-12) (CAS RN: 483-17-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Vitamin K1 2,3-epoxide
Vitamin K1 2,3-epoxide (CAS: 25486-55-9) is a vitamin K derivative. Vitamin K is needed for the posttranslational modification of certain proteins, mostly required for blood coagulation. Within the cell, vitamin K undergoes electron reduction to a reduced form of vitamin K (called vitamin K hydroquinone) by the enzyme vitamin K epoxide reductase (or VKOR). Another enzyme then oxidizes vitamin K hydroquinone to allow carboxylation of glutamate into gamma-carboxyglutamate (Gla). This enzyme is called the gamma-glutamyl carboxylase or the vitamin K-dependent carboxylase. The carboxylation reaction will only proceed if the carboxylase enzyme is able to oxidize vitamin K hydroquinone into vitamin K epoxide at the same time; the carboxylation and epoxidation reactions are said to be coupled reactions. Vitamin K epoxide is then re-converted into vitamin K by the vitamin K epoxide reductase. These two enzymes comprise the so-called vitamin K cycle. One of the reasons why vitamin K is rarely deficient in a human diet is because vitamin K is continually recycled in our cells. Vitamin K 2,3-epoxide is the substrate for vitamin K 2,3-epoxide reductase (VKOR) complex. Significantly increased level of serum vitamin K epoxide has been found in patients with familial multiple coagulation factor deficiency (PMID: 12384421). Accumulation of vitamin K1-2,3-epoxide in plasma is also a sensitive marker of the coumarin-like activity of drugs (PMID: 2401753). Vitamin K1 2,3-epoxide is a vitamin K derivative. Vitamin K needed for the posttranslational modification of certain proteins, mostly required for blood coagulation. Within the cell, Vitamin K undergoes electron reduction to a reduced form of Vitamin K (called Vitamin K hydroquinone) by the enzyme Vitamin K epoxide reductase (or VKOR). Another enzyme then oxidizes Vitamin K hydroquinone to allow carboxylation of Glutamate to Gamma-cabroxygluatmate (Gla); this enzyme is called the gamma-glutamyl carboxylase or the Vitamin K-dependent carboxylase. The carboxylation reaction will only proceed if the carboxylase enzyme is able to oxidize Vitamin K hydroquinone to vitamin K epoxide at the same time; the carboxylation and epoxidation reactions are said to be coupled reactions. Vitamin K epoxide is then re-converted to Vitamin K by the Vitamin K epoxide reductase. These two enzymes comprise the so-called Vitamin K cycle. One of the reasons why Vitamin K is rarely deficient in a human diet is because Vitamin K is continually recycled in our cells. Vitamin K 2,3-epoxide is the substrate for vitamin K 2,3-epoxide reductase (VKOR) complex. Significantly increased level of serum vitamin K epoxide has been found in patients with familial multiple coagulation factor deficiency. (PMID 12384421) Accumulation of vitamin K1-2,3-epoxide in plasma is also a sensitive marker of coumarin-like activity of drugs. (PMID 2401753) [HMDB]
ST 28:0;O5
A brassinosteroid that is castasterone in which the oxo group at position 6 has been converted to a hydroxy group (the 6alpha-stereoisomer).
Cholesterol sulfate
Cholesterol sulfate, or cholest-5-en-3beta-ol sulfate, is an endogenous steroid and the C3beta sulfate ester of cholesterol. It is formed from cholesterol by steroid sulfotransferases (SSTs) such as SULT2B1b (also known as cholesterol sulfotransferase) and is converted back into cholesterol by steroid sulfatase (STS). Accumulation of cholesterol sulfate in the skin is implicated in the pathophysiology of X-linked ichthyosis, a congenital disorder in which STS is non-functional and the body cannot convert cholesterol sulfate back into cholesterol. Cholesterol sulfate is quantitatively the most important known sterol sulfate in human plasma, where it is present in a concentration that overlaps that of the other abundant circulating steroid sulfate, dehydroepiandrosterone (DHEA) sulfate (PMID 12730293). Cholesterol sulfate has a stabilizing function on the membrane, supports platelet adhesion and is involved in signal transduction (PMID 12730293). It plays a role in protecting erythrocytes from osmotic lysis and regulating sperm capacitation. Cholesterol sulfate can regulate the activity of serine proteases, e.g., those involved in blood clotting, fibrinolysis, and epidermal cell adhesion (PMID 12730293). As a result of its ability to regulate the activity of selective protein kinase C isoforms and modulate the specificity of phosphatidylinositol 3-kinase, cholesterol sulfate is involved in signal transduction (PMID 12730293). Cholesterol sulfate functions in keratinocyte differentiation, inducing genes that encode for key components involved in development of the barrier (PMID 12730293). Cholesterol sulfate is a sterol sulfate in human plasma. It is a component of cell membrane and has a regulatory function. It has a stabilizing function on the membrane, supports platelet adhesion and involves in signal transduction. (PMID 12730293) [HMDB] D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
omega-Hydroxyphylloquinone
LysoSM(d18:0)
Sphingomyelin (d18:0/0:0) or LysoSM(d18:0) is a type of sphingolipid found in animal cell membranes, especially in the membranous myelin sheath which surrounds some nerve cell axons. It usually consists of phosphorylcholine and ceramide. In humans, sphingomyelin is the only membrane phospholipid not derived from glycerol. Like all sphingolipids, SPH has a ceramide core (sphingosine bonded to a fatty acid via an amide linkage). In addition it contains one polar head group, which is either phosphocholine or phosphoethanolamine. The plasma membrane of cells is highly enriched in sphingomyelin and is considered largely to be found in the exoplasmic leaflet of the cell membrane. However, there is some evidence that there may also be a sphingomyelin pool in the inner leaflet of the membrane. Moreover, neutral sphingomyelinase-2 - an enzyme that breaks down sphingomyelin into ceramide has been found to localise exclusively to the inner leaflet further suggesting that there may be sphingomyelin present there. Sphingomyelin can accumulate in a rare hereditary disease called Niemann-Pick Disease, types A and B. Niemann-Pick disease is a genetically-inherited disease caused by a deficiency in the enzyme Sphingomyelinase, which causes the accumulation of Sphingomyelin in spleen, liver, lungs, bone marrow, and the brain, causing irreversible neurological damage. SMs play a role in signal transduction. Sphingomyelins are synthesized by the transfer of phosphorylcholine from phosphatidylcholine to a ceramide in a reaction catalyzed by sphingomyelin synthase. Sphingomyelin (d18:0/0:0) or LysoSM(d18:0)is a type of sphingolipid found in animal cell membranes, especially in the membranous myelin sheath which surrounds some nerve cell axons. It usually consists of phosphorylcholine and ceramide. In humans, sphingomyelin is the only membrane phospholipid not derived from glycerol. Like all sphingolipids, SPH has a ceramide core (sphingosine bonded to a fatty acid via an amide linkage). In addition it contains one polar head group, which is either phosphocholine or phosphoethanolamine. The plasma membrane of cells is highly enriched in sphingomyelin and is considered largely to be found in the exoplasmic leaflet of the cell membrane. However, there is some evidence that there may also be a sphingomyelin pool in the inner leaflet of the membrane. Moreover, neutral sphingomyelinase-2 - an enzyme that breaks down sphingomyelin into ceramide has been found to localise exclusively to the inner leaflet further suggesting that there may be sphingomyelin present there. Sphingomyelin can accumulate in a rare hereditary disease called Niemann-Pick Disease, types A and B. Niemann-Pick disease is a genetically-inherited disease caused by a deficiency in the enzyme Sphingomyelinase, which causes the accumulation of Sphingomyelin in spleen, liver, lungs, bone marrow, and the brain, causing irreversible neurological damage. SMs play a role in signal transduction.
1-eicosanoyl-glycero-3-phosphate
1-eicosanoyl-glycero-3-phosphate is also known as LPA(20:0/0:0). 1-eicosanoyl-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-eicosanoyl-glycero-3-phosphate is a glycerophosphate lipid molecule
LysoPA(i-20:0/0:0)
LysoPA(i-20:0/0:0) 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-20:0/0:0), in particular, consists of one chain of isoeicosanoic 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.
N-Linoleoyl Tryptophan
N-linoleoyl tryptophan belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Linoleic acid amide of Tryptophan. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Linoleoyl Tryptophan is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Linoleoyl Tryptophan is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
2,3-Epoxyphylloquinone
Vitamin K1 2,3-epoxide is a vitamin K derivative. Vitamin K needed for the posttranslational modification of certain proteins, mostly required for blood coagulation. Within the cell, Vitamin K undergoes electron reduction to a reduced form of Vitamin K (called Vitamin K hydroquinone) by the enzyme Vitamin K epoxide reductase (or VKOR). Another enzyme then oxidizes Vitamin K hydroquinone to allow carboxylation of Glutamate to Gamma-cabroxygluatmate (Gla); this enzyme is called the gamma-glutamyl carboxylase or the Vitamin K-dependent carboxylase. The carboxylation reaction will only proceed if the carboxylase enzyme is able to oxidize Vitamin K hydroquinone to vitamin K epoxide at the same time; the carboxylation and epoxidation reactions are said to be coupled reactions. Vitamin K epoxide is then re-converted to Vitamin K by the Vitamin K epoxide reductase. These two enzymes comprise the so-called Vitamin K cycle. One of the reasons why Vitamin K is rarely deficient in a human diet is because Vitamin K is continually recycled in our cells. Vitamin K 2,3-epoxide is the substrate for vitamin K 2,3-epoxide reductase (VKOR) complex. Significantly increased level of serum vitamin K epoxide has been found in patients with familial multiple coagulation factor deficiency. (PMID 12384421) Accumulation of vitamin K1-2,3-epoxide in plasma is also a sensitive marker of coumarin-like activity of drugs. (PMID 2401753) [HMDB]
Cephaeline
Cholesterol phosphate
28-Norbrassinolide
28-norbrassinolide belongs to brassinolides and derivatives class of compounds. Those are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one. 28-norbrassinolide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 28-norbrassinolide can be found in tea and turnip, which makes 28-norbrassinolide a potential biomarker for the consumption of these food products.
6alpha-hydroxy-castasterone
6alpha-hydroxy-castasterone belongs to pentahydroxy bile acids, alcohols and derivatives class of compounds. Those are bile acids, alcohols or derivatives bearing five hydroxyl groups. 6alpha-hydroxy-castasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6alpha-hydroxy-castasterone can be found in a number of food items such as common salsify, chicory roots, muscadine grape, and ginseng, which makes 6alpha-hydroxy-castasterone a potential biomarker for the consumption of these food products.
cholesterol sulfate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors A steroid sulfate that is cholesterol substituted by a sulfoxy group at position 3. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
(-)-5alpha-(12-Cytisinylmethyl)-6alpha-hydroxylupanine
2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,4,5,6,6a,7,8,8a,11,12-decahydropicene-4a-carboxylic acid
N-(12-Amino-4,9-diazadodecan-1-yl)-2-[[(2,4-dihydroxyphenyl)acetyl]amino]succinamide
Mastigophorene C
1-[(2E,4E)-6,7-Dihydroxy-2,4-octadienoyl]prolyl-N-methylvalyl-N2-methylalaninamide
(3alpha,5beta,7alpha,12alpha)-form-3,7,12,27-Tetrahydroxycholesten-26-oic acid
23,27-Epoxy-3-oxolanosta-7,23,25(27)-trien-26-oic acid|Pseudolarifuroic acid
8alpha-hydroxylabda-13(16),14-dien-19-yl p-methoxycinnamate
(24S)-3beta,4beta,6alpha,8,24-pentahydroxy-5alpha-cholestan-15-one|certonardosterol Q2
24-Methylen-3-oxo-lanosta-7,9(11)-dien-21-saeure|3-oxo-eburica-7,9(11),24(28)-trien-21-oic acid|3-Oxo-eburica-7,9(11),24(28)-trien-21-saeure|7.11-Didehydro-eburiconsaeure|dehydroeburicoic acid|dehydroeburiconic acid
(1R*,2R*,3E,7E,11R*,12S*)-16-O-(3-hydroxy-3-methylglutaryl)-dolabella-3,7-dien-2,16,18-triol
(3beta, 5alpha, 6alpha, 24E)-Cholest-24-ene-3, 6, 8, 14, 15, 26-hexol, 9CI
(24S)-24-methylcholestane-1beta,3beta,5alpha,6beta,25-pentol
(E)-N-[(20S)-20-(dimethylamino)-2beta-hydroxy-5alpha-pregnane-3beta-yl]benzamide|2beta-hydroxyepipachysamine D|2beta-hydroxyepipachysamine-D
(24S)-ergostane-3beta,5alpha,6beta,11alpha-tetraol
balansinone|rel-(8S,9S,11R,13R,14S,17R,20S,22R,24S)-22-hydroxy-9,11-epoxy-24-methyl-9(10?19)abeo-lanost-25(10),25-trien-1-one
(22Z)-3,4-seco-9betaH-lanosta-4(28),7,22,24-tetraen-26,23-olid-3-oic acid
23-hydroxy-3-oxomariessia-7,14,24-trien-26,23-olide
O-3-(beta-methyl)valeroyl alpha-bisabolol beta-D-fucopyranoside
23-hydroxy-3-oxomariessia-8(9),14,24-trien-26,23-olide
(5R,20R)-23-hydroxy-8(14?13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30),24-triene-26,23-olide|(5R,20R)-23-hydroxyl-8(14?13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 24-triene-26,23-olide
(24E,13R)-8(14->13)-abeo-17,13-friedo-lanosta-3,23-dion-8,14(30),24-trien-27-oic acid|neoabiestrine F
23-hydroxy-8(14?13)-abeo-17,13-fried-3-oxolanosta-8,14(15),24-triene-26,23-olide
(23R,24S)-3beta,11alpha,16beta,23,24-pentahydroxy-5alpha-cholestan-6-one
2-(3-eicosadienoyloxy-2-hydroxypropanoxy)methylpropenoic acid
(2alpha, 3beta, 5alpha, 6beta, 9alpha, 11alpha)-Cholest-7-ene-2, 3, 5, 6, 9, 11-hexol
2beta,3beta,14,20,22,25-hexahydroxy-5-cholest-7-ene
(3R,28R)-3,28-dihydroxy-1,12,18,29-triacontatetrayne-14,17-dione|14,17-Diketone-1,12,18,29-Triacontatetrayne-3,14,17,28-tetrol
(24S)-ergostane-3beta,5alpha,6beta,7beta,15beta-pentol
(24S)-24-methyl-5alpha-cholestane-3beta,5,6beta,25xi,26-pentol|(24S)-24-methylcholestane-3beta,5alpha,6beta,25xi,26-pentol
(-)-3,16-dioxolanosta-8,24-dien-21-oic acid|pinicolic acid B
(22E,24R)-5alpha-cholest-22-ene-3beta,4beta,6alpha,8,15beta,24-hexaol
(16R,23S)-3-oxo-16,23-epoxylanosta-7,24-dien-26,23-olide
C23H38N4O6_1-[(2E,4E)-6,7-Dihydroxy-2,4-octadienoyl]prolyl-N-methylvalyl-N~2~-methylalaninamide
(6R)-2-(hydroxymethyl)-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(6R)-2-methyl-6-((2R,3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(2S,3R,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(2R,3R,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(2S,3S,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(2R,3S,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
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4-Apo-3,4-didehydrolycopene/ (4-Apo-3,4-didehydrolycopene)
(24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2 / (24RS)-28,28,28-trifluoro-25-hydroxyergocalciferol
(5Z,7E)-(1S,3R)-24-(dimethoxyphosphoryl)-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
24,24-difluoro-1α,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1α,25-dihydroxy-24a-homocholecalciferol
(5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol
2β,3α,7α,12α-Tetrahydroxy-5β-cholestan-26-oic acid
3α,7α,12α,22-Tetrahydroxy-5β-cholestan-26-oic acid
3α,7α,12α,24-Tetrahydroxy-5α-cholestan-26-oic acid
3α,7α,12α,23-Tetrahydroxy-5β-cholestan-26-oic acid
1β,3α,7α,12α-Tetrahydroxy-5β-cholestan-26-oic acid
3α,6α,7α,12α-Tetrahydroxy-5β-cholestan-26-oic acid
3α,7α,12α,25-Tetrahydroxy-5β-cholestan-26-oic acid
2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha,22-Tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha,24-Tetrahydroxy-5alpha-cholestan-26-oic acid
3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholestan-26-oic acid
1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,22S-trihydroxy-5alpha-cholestan-26-oic acid
3alpha,7alpha,12alpha,26-tetrahydroxy-5alpha-cholestan-27-oic acid
(25R)-1beta,3alpha,7alpha,12alpha-tetrahydroxy-5beta-cholestan-26-oic acid
(25S)-2beta,3alpha,7alpha,12alpha-tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha,22S-tetrahydroxy-5beta-cholestan-26-oic acid
(25S)-3alpha,7alpha,12alpha,24R-tetrahydroxy-5beta-cholestan-26-oic acid
(25R)-3alpha,7alpha,12alpha,24R-tetrahydroxy-5beta-cholestan-26-oic acid
(25S)-3alpha,7alpha,12alpha,24S-tetrahydroxy-5beta-cholestan-26-oic acid
(25R)-3alpha,7alpha,12alpha,24S-tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestan-27-oic acid
3alpha,7alpha,15alpha,22S-Tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,16alpha,22S-Tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,16alpha,24R-Tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-26-oic acid
(24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2
1alpha-hydroxy-24-(dimethoxyphosphoryl)-25,26,27-trinorvitamin D3
24,24-difluoro-1alpha,25-dihydroxy-24a-homovitamin D3
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin D3
cholesteryl sulfate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
2,3-epoxyphylloquinone
U-73343
U-73343, works as a protonophore, is an inactive analog of U-73122 and can be used as a negative control. U-73343 dose-dependently inhibits acid secretion irrespective of the stimulant. U-73122 is a phospholipase C (PLC) and 5-LO (5-lipoxygenase) inhibitor with an IC50 of 1-2.1 μM for PLC[1][2].
4-[2-[5-[4-(Diethylamino)phenyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]vinyl]-N,N-diethylaniline
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
6alpha-hydroxy-castasterone
6alpha-hydroxy-castasterone belongs to pentahydroxy bile acids, alcohols and derivatives class of compounds. Those are bile acids, alcohols or derivatives bearing five hydroxyl groups. 6alpha-hydroxy-castasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6alpha-hydroxy-castasterone can be found in a number of food items such as common salsify, chicory roots, muscadine grape, and ginseng, which makes 6alpha-hydroxy-castasterone a potential biomarker for the consumption of these food products. 6α-hydroxy-castasterone belongs to pentahydroxy bile acids, alcohols and derivatives class of compounds. Those are bile acids, alcohols or derivatives bearing five hydroxyl groups. 6α-hydroxy-castasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6α-hydroxy-castasterone can be found in a number of food items such as common salsify, chicory roots, muscadine grape, and ginseng, which makes 6α-hydroxy-castasterone a potential biomarker for the consumption of these food products.
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[3-carboxy-2-[(8E,11E,13E)-15-hydroxyicosa-8,11,13-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(9E,11E,14E)-8-hydroxyicosa-9,11,14-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E,11E)-3-hydroxyicosa-5,8,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,11E,14E)-3-hydroxyicosa-8,11,14-trienoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[7-(5-heptyl-3,4-dimethylfuran-2-yl)heptanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[9-(5-hexyl-3-methylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-4-piperidinecarboxamide
(24R,25R)-3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oic acid
(2S,3S,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(6R)-2-methyl-6-((2R,3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid with S configuration at C-24.
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-pentadec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
[3-Hydroxy-2-(octanoylamino)nonyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(propanoylamino)tetradecyl] 2-(trimethylazaniumyl)ethyl phosphate
(2-Acetamido-3-hydroxypentadecyl) 2-(trimethylazaniumyl)ethyl phosphate
[2-(Butanoylamino)-3-hydroxytridecyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Heptanoylamino)-3-hydroxydecyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Hexanoylamino)-3-hydroxyundecyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(pentanoylamino)dodecyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-hydroxy-3-octanoyloxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
[3-Hydroxy-2-(nonanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-hydroxy-3-nonanoyloxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
7-Tert-butyl-7-(2,4,6-triisopropylphenyl)-2,3,5,6-dibenzo-7-silanorbornadiene
(2R,3S,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(1-butanoyloxy-3-hydroxypropan-2-yl) (11Z,14Z)-henicosa-11,14-dienoate
(1-hydroxy-3-pentanoyloxypropan-2-yl) (11Z,14Z)-icosa-11,14-dienoate
(1-hexanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-nonadeca-9,12-dienoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (13Z,16Z)-docosa-13,16-dienoate
(1-heptanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
[1-carboxy-3-[3-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[1-carboxy-3-[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(Z)-pentadec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Sphinganine-1-phosphocholine
A phosphosphingolipid consisting of sphinganine having a phosphocholine group attached to its primary hydroxyl group.
1-Icosanoyl-sn-glycero-3-phosphate
A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as icosanoyl (arachidoyl).
3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oic acid
LPEt(18:0)
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(5z)-5-[(2r)-2-[(6br,9r,11bs)-10-hydroxy-4,4,6b,10,11b-pentamethyl-3-oxo-1h,2h,4ah,5h,6h,7h,8h,9h,10ah,11h-cyclohexa[a]fluoren-9-yl]propylidene]-3-methylfuran-2-one
2,2'-dimethyl-5,5'-bis[(1s)-1,2,2-trimethylcyclopentyl]-[1,1'-biphenyl]-3,3',4,4'-tetrol
3-hydroxy-5-{[4-hydroxy-1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-1h,2h,3h,4h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-6-yl]methoxy}-3-methyl-5-oxopentanoic acid
(1r,3r,3as,3bs,5s,5as,6r,7s,9as,9br,11ar)-1-[(2r,3e,5s)-7-hydroxy-5-methylhept-3-en-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-3,3b,5,6,7-pentol
(1s,5r,7r)-1-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6,6-dimethyl-5,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione
(1s,3s,9r,12s,13s,16r,17r)-8,8,13,17-tetramethyl-16-{1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-7-oxapentacyclo[10.7.0.0¹,³.0³,⁹.0¹³,¹⁷]nonadec-4-en-6-one
3b,5,6,7-tetrahydroxy-1-(5-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
1-(6,7-dihydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol
(1r,3r,3as,3br,5s,5as,7s,9ar,9bs,11ar)-1-[(2r,5s)-5,6-dihydroxy-5-isopropylhexan-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,7-triol
n-[(1s,3as,3br,5as,7r,8s,9as,9bs,11as)-1-[(1s)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]benzenecarboximidic acid
(2r)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
(1s,2s,3s,6s,7s,8s,9s,12r)-12-(acetyloxy)-1,9-dihydroxy-6-isopropyl-3,9-dimethyl-13-methylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-3-yl butanoate
1-[(1s,2s)-1,2-bis(acetyloxy)-5-oxocyclopent-3-en-1-yl]pentadecyl acetate
2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
(4as,6ar,6bs,13bs,15ar,15bs)-4,4,6a,8a,13b,15b-hexamethyl-1h,2h,3h,4ah,5h,6h,6bh,7h,8h,13h,13ah,14h,15h,15ah-indeno[2,1-a]chrysene-9,10,12-triol
14-(acetyloxy)-5,10-dihydroxy-3-isopropyl-10,14-dimethyl-6-methylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-11-yl butanoate
[(1s,4as,5r,6r,8ar)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-en-1-yl)-hexahydro-2h-naphthalen-1-yl]methyl (2e)-3-(4-methoxyphenyl)prop-2-enoate
n-{1-[1-(dimethylamino)ethyl]-6-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl}benzenecarboximidic acid
1-(6-hydroxy-5-methylhept-3-en-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-3,3b,5,6,7-pentol
5-(2-{10-hydroxy-4,4,6b,10,11b-pentamethyl-3-oxo-1h,2h,4ah,5h,6h,7h,8h,9h,10ah,11h-cyclohexa[a]fluoren-9-yl}propylidene)-3-methylfuran-2-one
12-(acetyloxy)-1,9-dihydroxy-6-isopropyl-3,9-dimethyl-13-methylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-3-yl butanoate
6-{2',5',6,6,9a-pentamethyl-7-oxo-2,5,5a,8,9,9b-hexahydro-1h-spiro[cyclopenta[a]naphthalene-3,1'-cyclopentan]-2'-en-5'-yl}-2-methyl-4-oxohept-2-enoic acid
5-[(2r)-2-[(1s,5ar,7r,9ar,9bs,11as)-7-hydroxy-1,6,6,9a,11a-pentamethyl-2h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]propyl]furan-3-carboxylic acid
2-{3a,6,6,9a,11a-pentamethyl-2,7-dioxo-1h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoic acid
(4s,9s,11s,12r,14r,15r,16s)-12-hydroxy-14-isopropyl-5,5,17-trimethyl-15-(2-methylprop-1-en-1-yl)-21-oxahexacyclo[12.5.1.1⁹,¹².0¹,¹¹.0⁴,⁹.0¹¹,¹⁶]henicos-17-ene-13,20-dione
5-[(2r)-2-[(3as,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]propyl]-5-hydroxy-3-methylfuran-2-one
16-kaurene-2,15-diol; (ent-2α,15β)-form,2-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001924","Ingredient_name": "16-kaurene-2,15-diol; (ent-2\u03b1,15\u03b2)-form,2-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H42O7","Ingredient_Smile": "NA","Ingredient_weight": "466.61","OB_score": "NA","CAS_id": "34336-00-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9266","PubChem_id": "NA","DrugBank_id": "NA"}
4,5,6-tri-o-acetylhygrophorone b14
{"Ingredient_id": "HBIN009980","Ingredient_name": "4,5,6-tri-o-acetylhygrophorone b14","Alias": "NA","Ingredient_formula": "C26H42O7","Ingredient_Smile": "CCCCCCCCCCCCCCC(C1(C(C=CC1=O)OC(=O)C)OC(=O)C)OC(=O)C","Ingredient_weight": "466.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21520","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11271282","DrugBank_id": "NA"}
