Exact Mass: 466.2904
Exact Mass Matches: 466.2904
Found 500 metabolites which its exact mass value is equals to given mass value 466.2904
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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).
Androsterone glucuronide
Androsterone glucuronide (ADT-G) is one of the major circulating C19-steroid metabolites in humans. Human and monkey are unique in having high levels of circulating ADT-G. Furthermore, the plasma levels of these glucuronide derivatives reflect the peripheral tissue conversion of adrenal and gonadal precursor C19-steroids to active androgens in various pathophysiological conditions. Identification and characterization of human UDP-glucuronosyltransferase 2B (UGT2Bs) demonstrated the major role that these enzymes play in androgen conjugation, with UGT2B15 and UGT2B17 (EC 2.4.1.17) being the major androsterone-conjugating isoforms. Exaggerated androsterone metabolism, is observed in hyper-androgenic as well as in some normo-androgenic women with acne and androsterone glucuronide could be a marker in differentiating acne and hirsutism in hyperandrogenic women. Present data shows that the most practical and probably only valid means of assessing androgenic activity in women is to measure ADT-G, the metabolite that accounts for 93\\% of the total androgen glucuronide derivatives. (PMID: 12943709, 12445184, 16621522) [HMDB] Androsterone glucuronide (ADT-G) is one of the major circulating C19-steroid metabolites in humans. Human and monkey are unique in having high levels of circulating ADT-G. Furthermore, the plasma levels of these glucuronide derivatives reflect the peripheral tissue conversion of adrenal and gonadal precursor C19-steroids to active androgens in various pathophysiological conditions. Identification and characterization of human UDP-glucuronosyltransferase 2B (UGT2Bs) demonstrated the major role that these enzymes play in androgen conjugation, with UGT2B15 and UGT2B17 (EC 2.4.1.17) being the major androsterone-conjugating isoforms. Exaggerated androsterone metabolism, is observed in hyper-androgenic as well as in some normo-androgenic women with acne and androsterone glucuronide could be a marker in differentiating acne and hirsutism in hyperandrogenic women. Present data shows that the most practical and probably only valid means of assessing androgenic activity in women is to measure ADT-G, the metabolite that accounts for 93\\% of the total androgen glucuronide derivatives. (PMID: 12943709, 12445184, 16621522). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
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
5β-Androstan-3α-ol-17-One Glucosiduronate
Etiocholanolone glucuronide is a natural human metabolite of etiocholanolone generated in the liver by UDP glucuonyltransferase. Etiocholanolone (or 5-isoandrosterone) is a metabolite of testosterone. Classified a ketosteroid, it causes fever, immunostimulation and leukocytosis. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. [HMDB] Etiocholanolone glucuronide is a natural human metabolite of etiocholanolone generated in the liver by UDP glucuonyltransferase. Etiocholanolone (or 5-isoandrosterone) is a metabolite of testosterone. Classified a ketosteroid, it causes fever, immunostimulation and leukocytosis. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Etiocholanolone glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3602-09-3 (retrieved 2024-06-29) (CAS RN: 3602-09-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
5-alpha-Dihydrotestosterone glucuronide
5-alpha-Dihydrotestosterone glucuronide is a natural human metabolite of 5alpha-Dihydrotestosterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 5-alpha-Dihydrotestosterone glucuronide is a natural human metabolite of 5alpha-Dihydrotestosterone generated in the liver by UDP glucuonyltransferase. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide is a natural human metabolite of 3-alpha-hydroxy-5-alpha-androstane-17-one generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
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.
5alpha-Androstan-17beta-ol-3-one glucosiduronate
Acetildenafil
Cephaeline
Cholesterol phosphate
Mutant IDH1 inhibitor
DG(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
DG(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/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(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0/0:0)
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0/0:0) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
DG(2:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0/2:0)
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0/2:0) 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.
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
acetildenafil
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058986 - Phosphodiesterase 5 Inhibitors D000089162 - Genitourinary Agents > D064804 - Urological Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
1-[(2E,4E)-6,7-Dihydroxy-2,4-octadienoyl]prolyl-N-methylvalyl-N2-methylalaninamide
11-hydroxyusambarine|16-(2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-17-nor-coryn-18-en-11-ol|Usambaridin Br|Usambaridine Br
10-Hydroxyusambarine|16-(2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-17-nor-coryn-18-en-10-ol|18-Dehydro-10-hydroxynigritanin
(11alpha,12alpha)-4-demethyl-11,12-epoxy-3,13-dihydroxy-2-oxoursa-3,20(30)-diene-28-oic acid gamma-lactone|adenanthusone
(1S,2S,3R,4R,6R)-diangeloyloxy-3,4-epoxy-2,10,11-trihydroxybisabol-7(14)-ene|1beta,8-diangeloyloxy-3beta,4beta-epoxy-2beta,10,11-trihydroxybisabol-7(14)-ene
8alpha-hydroxylabda-13(16),14-dien-19-yl (Z)-4-hydroxycinnamate
2,22beta-dihydroxy-3-methoxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione
3-methyl-23-hydroxy-6-oxo-tingenol|3-O-methyl-23-hydroxy-6-oxotingenol
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
16(R)-6alpha,11beta-dihydroxy-17-methoxy-3beta,7beta-diacetoxy-ent-kaur-15-one|xindongnin G
clerodinin A|clerodinin B|lupulin D|O15-De-Et,O15-Methyl,15-Epimer-Clerodinin C
(1R*,2R*,3E,7E,11R*,12S*)-16-O-(3-hydroxy-3-methylglutaryl)-dolabella-3,7-dien-2,16,18-triol
11,12-Di-O-acetyl-marsectohexol|11,12-di-O-acetylmarsectohexol|11.12-Di-O-acetyl-marsectohexol|12-O-acetyllanceogenin
1,6,9-trihydroxy-3-(1-hydroxy-1-methylethyl)-10-isobutyryl-5,5-dimethyl-8-(3-methylbut-2-enyl)-4-oxabicyclo[6.3.1]dodec-9-ene-11,12-dione|garcinielliptone HF
(1beta,2beta,3beta,4beta,6beta)-3,4-epoxybisabol-7(14)-ene-1,2,8,10,11-pentol 2,10-diangelate|(2Z)-2-methylbut-2-enoic acid (1RS,2SR,3SR,4RS,6RS)-4-(2,5-dihydroxy-5-methyl-1-methylene-4-{[(2Z)-2-methyl-1-oxobut-2-en-1-yl]oxy}hexyl)-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]hept-2-yl ester
4-epi-aubergenone 11-O-2,3-di-O-acetyl-alpha-L-rhamnopyranoside
4-epi-aubergenone 11-O-2,4-di-O-acetyl-alpha-L-rhamnopyranoside
2beta,8-diangeloyloxy-3beta,4beta-epoxy-1beta,10,11-trihydroxybisabol-7(14)-ene
2beta,8-diangeloyloxy-1beta,3beta,4alpha,11-tetrahydroxybisabol-7(14),9-diene
(22Z)-3,4-seco-9betaH-lanosta-4(28),7,22,24-tetraen-26,23-olid-3-oic acid
(11S,12S)-4-methyl-11,12-epoxy-2-hydroxy-3-oxoursa-1,4-dine-28-oic acid-gamma-lactone|ulmoidol A
23-hydroxy-3-oxomariessia-7,14,24-trien-26,23-olide
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
(rel-5S,6R,8R,9R,10S,13S,15R)-6-acetoxy-9,13:15,16-diepoxy-15-methoxylabdane|3alpha,8beta-diacetoxy-9,13;15,16-diepoxy-15beta-methoxylabdan-7-one|leosibirinone A
(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
(-)-3,16-dioxolanosta-8,24-dien-21-oic acid|pinicolic acid B
11-hydroxyusambarine|16-(2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-17-nor-coryn-18-en-12-ol|Usambaridin Vi
Wilforol A
Wilforol A is a pentacyclic triterpenoid with formula C29H38O5, originally isolated from the stems of Tripterygium regelii. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid, a member of catechols, a cyclic terpene ketone and an enone. Wilforol A is a natural product found in Tripterygium hypoglaucum, Tripterygium wilfordii, and Celastrus orbiculatus with data available. A pentacyclic triterpenoid with formula C29H38O5, originally isolated from the stems of Tripterygium regelii.
5??,6??-Epoxy-4??-hydroxy-1-oxo-witha-2,16,24-trienolide
(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
His Ile Pro Thr
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(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
5-alpha-Dihydrotestosterone glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3alpha-Hydroxy-5alpha-androstane-17-one 3-D-glucuronoside
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide
(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
ST 19:1;O2;GlcA
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
cholesteryl sulfate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
butyl prop-2-enoate,2-methylprop-2-enoic acid,propane-1,2-diol,prop-2-enoic acid,styrene
3,3-(Ethane-1,2-diylbis(oxy))bis(3,1-phenylene)diboronic acid, pinacol ester
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].
N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine,2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
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
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide is a natural human metabolite of 3-alpha-hydroxy-5-alpha-androstane-17-one generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide is a natural human metabolite of 3-alpha-hydroxy-5-alpha-androstane-17-one generated in the liver by UDP glucuonyltransferase.
5alpha-Androstan-17beta-ol-3-one glucosiduronate
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Etiocholanolone 3-glucuronide
A steroid glucosiduronic acid having etiocholanolone as the steroid component.
(2S,3R,12bS)-3-ethenyl-2-[[(1R)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol
N-(1-Cyclohexylcarbamoyl-cyclopentyl)-N-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
Glucosyl-6beta-hydroxytestosterone
A steroid saponin that is 6beta-hydroxytestosterone attached to a alpha-D-glucopyranosyl residue at position 6 via glycosidic linkage.
N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-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]cyclopropanecarboxamide
N-[(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]cyclopropanecarboxamide
N-[(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]cyclopropanecarboxamide
N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(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]cyclopropanecarboxamide
N-[(2S,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]cyclopropanecarboxamide
N-[(2R,3S)-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]cyclopropanecarboxamide
(2S,3R,12bS)-3-ethenyl-2-[[(1R)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-9-ol
(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) decanoate
2,3-dihydroxypropyl [3-[(9Z,12Z)-hexadeca-9,12-dienoxy]-2-hydroxypropyl] hydrogen phosphate
[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
[3-Hydroxy-2-(nonanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) hexadecanoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) heptadecanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate
(1-Octanoyloxy-3-phosphonooxypropan-2-yl) undecanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) tridecanoate
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) dodecanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) tetradecanoate
7-Tert-butyl-7-(2,4,6-triisopropylphenyl)-2,3,5,6-dibenzo-7-silanorbornadiene
[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
N-[(E,4Z,7R)-4-(chloromethylidene)-10-[3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-7,9-dimethyl-10-oxodec-8-enyl]-N-methylacetamide
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
Androsterone glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Etiocholanolone glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-Icosanoyl-sn-glycero-3-phosphate
A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as icosanoyl (arachidoyl).
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide
5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide)
A steroid glucosiduronic acid that is 5alpha-dihydrotestosterone having a single beta-D-glucuronic acid residue attached at position 17.
androsterone 3-glucosiduronic acid
A steroid glucosiduronic acid having androsterone as the steroid component.
3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid
LPEt(18:0)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
Mutant IDH1 inhibitor
Mutant IDH1 inhibitor is a potent mutant IDH1 R132H inhibitor with IC50 of < 72 nM.
(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
4-formyl-3,9-dihydroxy-7,7-dimethyl-1-oxo-3h,3ah,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 2-hydroxydecanoate
6-hydroxy-2,6,10-trimethyl-13-(7-methyl-5,8-dioxonaphthalen-2-yl)trideca-2,10-dien-7-yl acetate
(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
(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
(1r,2r,4as,5'r,5''r,6r,8as)-6-(acetyloxy)-5''-methoxy-2,5,5,8a-tetramethyl-3-oxo-tetrahydro-4h-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-2-yl acetate
6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-en-1-yl)-hexahydro-2h-naphthalene-1-carbonyl 3-(4-hydroxyphenyl)prop-2-enoate
1-[(1s,2s)-1,2-bis(acetyloxy)-5-oxocyclopent-3-en-1-yl]pentadecyl acetate
methyl 2-(5-hydroxy-2-{[(6e)-3-methyl-7-{[(1r,5r)-3-methyl-5-(2-methylprop-1-en-1-yl)-4-oxocyclopent-2-en-1-yl]methyl}octa-1,6-dien-3-yl]oxy}phenyl)acetate
(3s,3as,6as,9s,10r)-4-formyl-3,9-dihydroxy-7,7-dimethyl-1-oxo-3h,3ah,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 2-hydroxydecanoate
(1r,2r,2''s,4r,4as,5's,6s,8as)-2''-(acetyloxy)-4-(formyloxy)-2,5,5,8a-tetramethyl-hexahydro-2h-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-6-yl acetate
(3s,5s)-5,6-dihydroxy-2-[(1r,3r,4s,5s,6s)-5-hydroxy-6-methyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate
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
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"}