Exact Mass: 436.2407
Exact Mass Matches: 436.2407
Found 500 metabolites which its exact mass value is equals to given mass value 436.2407
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
DHAP(18:0)
DHAP(18:0) is the octadecanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octadecanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. 1-Octadecyl-glycerone-3-phosphate is an intermediate in Ether lipid metabolism. DHAP(18:0) or 1-Octadecanoyl-glycerone-3-phosphate is the precursor to 1-Octadecyl-glycerone-3-phosphate DHAP(18:0e) which is generated via alkylglycerone phosphate synthase (EC: 2.5.1.26). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. Ether lipids are called plasmalogens (1-O-1-alkenyl-2-acylglycerophospholipids) if these are glycerol-containing phospholipids with an unsaturated O-(1-alkenyl) (vinyl ether) group at the first position on the glycerol chain. Plasmalogens as well as some 1-O-alkyl lipids are ubiquitous and sometimes major parts of the cell membranes in mammals and anaerobic bacteria. In archaea, ether lipids are the major polar lipids in the cell envelope and their abundance is one of the major characteristics that separate this group of prokaryotes from the bacteria. In these cells, diphytanylglycerolipids or bipolar macrocyclic tetraethers can form covalently linked bilayers. [HMDB] DHAP(18:0) is the octadecanoyl derivative of dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octadecanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. 1-Octadecyl-glycerone-3-phosphate is an intermediate in Ether lipid metabolism. DHAP(18:0) or 1-Octadecanoyl-glycerone-3-phosphate is the precursor to 1-Octadecyl-glycerone-3-phosphate DHAP(18:0e) which is generated via alkylglycerone phosphate synthase (EC: 2.5.1.26). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. Ether lipids are called plasmalogens (1-O-1-alkenyl-2-acylglycerophospholipids) if these are glycerol-containing phospholipids with an unsaturated O-(1-alkenyl) (vinyl ether) group at the first position on the glycerol chain. Plasmalogens as well as some 1-O-alkyl lipids are ubiquitous and sometimes major parts of the cell membranes in mammals and anaerobic bacteria. In archaea, ether lipids are the major polar lipids in the cell envelope and their abundance is one of the major characteristics that separate this group of prokaryotes from the bacteria. In these cells, diphytanylglycerolipids or bipolar macrocyclic tetraethers can form covalently linked bilayers. (Wikipedia)
MLS002638824
9-Fluoro-2alpha-methylcortisol 21-acetate
HC Toxin
A homodetic cyclic tetrapeptide made up from L-alanyl, D-alanyl, L-prolyl and 2-amino-8-oxo-9,10-epoxydecanoyl residues.
Flurandrenolide
Flurandrenolide is only found in individuals that have used or taken this drug. It is a corticosteroid used topically in the treatment of various skin disorders. It is usually employed as a cream or an ointment, and is also used as a polyethylene tape with an adhesive. (From Martindale, The Extra Pharmacopoeia, 30th ed, p733)Flurandrenolide is a topical corticosteroid. It is normally applied to a plastic tape called Cordran. Cordran is primarily effective because of its anti-inflammatory, antipruritic, and vasoconstrictive actions. Flurandrenolide, which is slowly released from the Cordran tape, binds to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Specifically glucocorticoids induce lipocortin-1 (annexin-1) synthesis, which then binds to cell membranes preventing the phospholipase A2 from coming into contact with its substrate arachidonic acid. This leads to diminished eicosanoid production. Cyclooxygenase (both COX-1 and COX-2) expression is also suppressed, potentiating the effect. In another words, the two main products in inflammation Prostaglandins and Leukotrienes are inhibited by the action of Glucocorticoids. Glucocorticoids also stimulate the lipocortin-1 escaping to the extracellular space, where it binds to the leukocyte membrane receptors and inhibits various inflammatory events: epithelial adhesion, emigration, chemotaxis, phagocytosis, respiratory burst and the release of various inflammatory mediators (lysosomal enzymes, cytokines, tissue plasminogen activator, chemokines etc.) from neutrophils, macrophages and mastocytes. Additionally the immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Like other glucocorticoid agents Fluocinolone acetonide acts as a physiological antagonist to insulin by decreasing glycogenesis (formation of glycogen). It also promotes the breakdown of lipids (lipolysis), and proteins, leading to the mobilization of extrahepatic amino acids and ketone bodies. This leads to increased circulating glucose concentrations (in the blood). There is also decreased glycogen formation in the liver. D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
LysoPA(18:1(9Z)/0:0)
LysoPA(18:1(9Z)/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. 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. In particular, lysophosphatidic acid is an intercellular lipid mediator with growth factor-like activities, and is rapidly produced and released from activated platelets to influence target cells. 1-Palmitoyl lysophosphatidic acid is the major component of lysophosphatidic acid (LPA) in plasma, and is in a reduced ratio in individuals with gynecological cancers (PMID 11585410). LPA is a pluripotent lipid mediator controlling growth, motility, and differentiation, that has a strong influence on the chemotaxis and ultrastructure of human neutrophils (PMID 7416233). In serum and plasma, LPA is mainly converted from lysophospholipids, whereas in platelets and some cancer cells it is converted from phosphatidic acid. In each pathway, at least two phospholipase activities are required: phospholipase A1 (PLA1)/PLA2 plus lysophospholipase D (lysoPLD) activities are involved in the first pathway and phospholipase D (PLD) plus PLA1/PLA2 activities are involved in the second pathway. (PMID 15271293).
Kanzonol I
Kanzonol I is found in herbs and spices. Kanzonol I is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol I is found in herbs and spices.
LysoPA(0:0/18:1(9Z))
LysoPA(0:0/18:1(9Z)) 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. 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. In particular, lysophosphatidic acid is an intercellular lipid mediator with growth factor-like activities, and is rapidly produced and released from activated platelets to influence target cells. 1-Palmitoyl lysophosphatidic acid is the major component of lysophosphatidic acid (LPA) in plasma, and is in a reduced ratio in individuals with gynecological cancers (PMID 11585410). LPA is a pluripotent lipid mediator controlling growth, motility, and differentiation, that has a strong influence on the chemotaxis and ultrastructure of human neutrophils (PMID 7416233). In serum and plasma, LPA is mainly converted from lysophospholipids, whereas in platelets and some cancer cells it is converted from phosphatidic acid. In each pathway, at least two phospholipase activities are required: phospholipase A1 (PLA1)/PLA2 plus lysophospholipase D (lysoPLD) activities are involved in the first pathway and phospholipase D (PLD) plus PLA1/PLA2 activities are involved in the second pathway. (PMID 15271293).
(2-Hydroxy-3-phosphonooxypropyl) octadec-9-enoate
Depropionylbezitramide
DN-isobutylamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
cyclo-(alanyl->alanyl->prolyl->2-amino-9,10-epoxy-8-oxo-decanoyl)|cyclo<(2-amino-9,10-epoxy-8-oxodecanoyl)-alanyl-alanyl-prolyl>|HC-Totin
15(S*)-15-hydroxy-3-oxo-14,3-oxy-3(4->18)-abeo-brevia-1,4(18),12,2,4-pentaene 1,5-lactone|15-hydroxybrevione C|brevione D
1alpha,6beta,7beta,14beta-tetrahydroxy-20-isobutoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one|hebeirubescensin D
14,15-dihydroclerodin|clerodin|dihydroclerodin|dihydroclerodin-1|dihydroclerodin-I
12,13-Di-Ac-(4xi,6beta,9alpha,12xi,13xi)-2,10(18),14-Prenylguaiatriene-4,6,9,12,13-pentol
1alpha,3beta,15beta-trihydroxy-7beta,11beta-diacetoxy-ent-kaur-16-ene|nervonin H
6alpha,11beta,15beta-trihydroxy-3beta,7beta-diacetoxy-ent-kaur-16-ene|xindongnin E
12,13-Di-Ac-(3beta,6beta,9alpha,12xi,13xi)-4,10,14-Prenylguaiatriene-3,6,9,12,13-pentol
20-Deoxy,5-benzoyl-Ingenol|3-O-benzoyl-20-deoxyingenol
15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16),14-trien-18-oic acid|rel-6-[(benzoyloxy)methyl]-5-[2-(3-furyl)ethyl]-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
(6aR,11aR)-3,9-dihydroxy-2,10-di(3,3-dimethylally)-8-methyl-1-methoxypterocarpan|bicolosin A
7alpha,14beta-dihydroxy-17alpha-ethoxymethyl-3beta-acetoxy-ent-kaur-11,15-dione
20(S)-1alpha,6beta,7beta-trihydroxy-20-butoxy-8,15-seco-7alpha,20-epoxy-ent-kaur-16-en-11,15-olide|parvifoline Y
9,10-epoxy-5beta-O-tigloyl-7alphaH-6alpha,8beta-di-O-acetylgermacra-3(4)E-ene|trijugin B
15,16-diacetoxy-12,13-15,16-diepoxy-14-hydroxy-neoclerod-3-ene
9alpha,13alpha-diacetoxy-11(15->1)abeotaxa-4(20),11-diene-5alpha,10beta,15-triol
6alpha,7alpha-17beta-trihydroxy-15beta,17-oxidispongian-16-one 7-butyrate|aplyroseol-3
5alpha,13alpha-dihydroxy-9alpha,10beta-diacetoxy-11(15->1)-abeo-taxa-4(20),11-diene
Flurandrenolide
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 269; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8989; ORIGINAL_PRECURSOR_SCAN_NO 8984 CONFIDENCE standard compound; INTERNAL_ID 269; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9017; ORIGINAL_PRECURSOR_SCAN_NO 9016 CONFIDENCE standard compound; INTERNAL_ID 269; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8994; ORIGINAL_PRECURSOR_SCAN_NO 8990
Ala Ala Ile Tyr
Ala Ala Leu Tyr
Ala Ala Tyr Ile
Ala Ala Tyr Leu
Ala Phe Ile Ser
Ala Phe Leu Ser
Ala Phe Ser Ile
Ala Phe Ser Leu
Ala Phe Thr Val
Ala Phe Val Thr
Ala His Ile Pro
Ala His Leu Pro
Ala His Pro Ile
Ala His Pro Leu
Ala Ile Ala Tyr
Ala Ile Phe Ser
Ala Ile His Pro
Ala Ile Pro His
Ala Ile Ser Phe
Ala Ile Tyr Ala
Ala Leu Ala Tyr
Ala Leu Phe Ser
Ala Leu His Pro
Ala Leu Pro His
Ala Leu Ser Phe
Ala Leu Tyr Ala
Ala Pro His Ile
Ala Pro His Leu
Ala Pro Ile His
Ala Pro Leu His
Ala Ser Phe Ile
Ala Ser Phe Leu
Ala Ser Ile Phe
Ala Ser Leu Phe
Ala Thr Phe Val
Ala Thr Val Phe
Ala Val Phe Thr
Ala Val Thr Phe
Ala Tyr Ala Ile
Ala Tyr Ala Leu
Ala Tyr Ile Ala
Ala Tyr Leu Ala
Phe Ala Ile Ser
Phe Ala Leu Ser
Phe Ala Ser Ile
Phe Ala Ser Leu
Phe Ala Thr Val
Phe Ala Val Thr
Phe Gly Ile Thr
Phe Gly Leu Thr
Phe Gly Thr Ile
Phe Gly Thr Leu
Phe Ile Ala Ser
Phe Ile Gly Thr
Phe Ile Ser Ala
Phe Ile Thr Gly
Phe Leu Ala Ser
Phe Leu Gly Thr
Phe Leu Ser Ala
Phe Leu Thr Gly
Phe Ser Ala Ile
Phe Ser Ala Leu
Phe Ser Ile Ala
Phe Ser Leu Ala
Phe Thr Ala Val
Phe Thr Gly Ile
Phe Thr Gly Leu
Phe Thr Ile Gly
Phe Thr Leu Gly
Phe Thr Val Ala
Phe Val Ala Thr
Phe Val Thr Ala
Gly Phe Ile Thr
Gly Phe Leu Thr
Gly Phe Thr Ile
Gly Phe Thr Leu
Gly Ile Phe Thr
Gly Ile Thr Phe
Gly Leu Phe Thr
Gly Leu Thr Phe
Gly Thr Phe Ile
Gly Thr Phe Leu
Gly Thr Ile Phe
Gly Thr Leu Phe
Gly Val Val Tyr
Gly Val Tyr Val
Gly Tyr Val Val
His Ala Ile Pro
His Ala Leu Pro
His Ala Pro Ile
His Ala Pro Leu
His Ile Ala Pro
His Ile Pro Ala
His Leu Ala Pro
His Leu Pro Ala
His Pro Ala Ile
His Pro Ala Leu
His Pro Ile Ala
His Pro Leu Ala
Ile Ala Ala Tyr
Ile Ala Phe Ser
Ile Ala His Pro
Ile Ala Pro His
Ile Ala Ser Phe
Ile Ala Tyr Ala
Ile Phe Ala Ser
Ile Phe Gly Thr
Ile Phe Ser Ala
Ile Phe Thr Gly
Ile Gly Phe Thr
Ile Gly Thr Phe
Ile His Ala Pro
Ile His Pro Ala
Ile Pro Ala His
Ile Pro His Ala
Ile Ser Ala Phe
Ile Ser Phe Ala
Ile Thr Phe Gly
Ile Thr Gly Phe
Ile Tyr Ala Ala
Leu Ala Ala Tyr
Leu Ala Phe Ser
Leu Ala His Pro
Leu Ala Pro His
Leu Ala Ser Phe
Leu Ala Tyr Ala
Leu Phe Ala Ser
Leu Phe Gly Thr
Leu Phe Ser Ala
Leu Phe Thr Gly
Leu Gly Phe Thr
Leu Gly Thr Phe
Leu His Ala Pro
Leu His Pro Ala
Leu Pro Ala His
Leu Pro His Ala
Leu Ser Ala Phe
Leu Ser Phe Ala
Leu Thr Phe Gly
Leu Thr Gly Phe
Leu Tyr Ala Ala
Pro Ala His Ile
Pro Ala His Leu
Pro Ala Ile His
Pro Ala Leu His
Pro His Ala Ile
Pro His Ala Leu
Pro His Ile Ala
Pro His Leu Ala
Pro Ile Ala His
Pro Ile His Ala
Pro Leu Ala His
Pro Leu His Ala
Ser Ala Phe Ile
Ser Ala Phe Leu
Ser Ala Ile Phe
Ser Ala Leu Phe
Ser Phe Ala Ile
Ser Phe Ala Leu
Ser Phe Ile Ala
Ser Phe Leu Ala
Ser Ile Ala Phe
Ser Ile Phe Ala
Ser Leu Ala Phe
Ser Leu Phe Ala
Thr Ala Phe Val
Thr Ala Val Phe
Thr Phe Ala Val
Thr Phe Gly Ile
Thr Phe Gly Leu
Thr Phe Ile Gly
Thr Phe Leu Gly
Thr Phe Val Ala
Thr Gly Phe Ile
Thr Gly Phe Leu
Thr Gly Ile Phe
Thr Gly Leu Phe
Thr Ile Phe Gly
Thr Ile Gly Phe
Thr Leu Phe Gly
Thr Leu Gly Phe
Thr Val Ala Phe
Thr Val Phe Ala
Val Ala Phe Thr
Val Ala Thr Phe
Val Phe Ala Thr
Val Phe Thr Ala
Val Gly Val Tyr
Val Gly Tyr Val
Val Thr Ala Phe
Val Thr Phe Ala
Val Val Gly Tyr
Val Val Tyr Gly
Val Tyr Gly Val
Val Tyr Val Gly
Tyr Ala Ala Ile
Tyr Ala Ala Leu
Tyr Ala Ile Ala
Tyr Ala Leu Ala
Tyr Gly Val Val
Tyr Ile Ala Ala
Tyr Leu Ala Ala
Tyr Val Gly Val
Tyr Val Val Gly
1-Oleoyl Lysophosphatidic Acid (sodium salt)
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-trityl-1H-pyrazole
1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-[7-[[2-(triMethylsilyl)ethoxy]Methyl]-7H-pyrrolo[2,3-d]pyriMidin-4-yl]-, (βR)-
4-(2,3-Dihydro-2-oxo-1H-benzimidazol-1-yl)-alpha,alpha-diphenylpiperidine-1-butyronitrile
9-Fluoro-17-hydroxy-2alpha-methylcorticosterone 21-acetate
N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
(2S)-2-azaniumyl-5-[[(2R)-1-[[2-[4-(3-azaniumylpropylazaniumyl)butylamino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate
[(2R)-2-hydroxy-3-phosphonooxypropyl] (E)-octadec-11-enoate
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-octadec-11-enoate
3-[2-[(3S,5R,8R,9S,10S,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3-oxopropanoic acid
9-Fluoro-16a,17-(isopropylidenedioxy)corticosterone
14,15-Dihydroclerodin
A diterpenoid isolated from the aerial parts of Ajuga bracteosa and has been shown to exhibit antifeedant activity.
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamide
[2-(4-Propylphenyl)-4-quinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
1-(1-Piperidinyl)-3-[4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenoxy]-2-propanol
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-N-(2-pyridinyl)pentanediamide
15,16-Epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)-
A natural product found in Dodonaea polyandra.
15,16-Epoxy-2alpha-benzoyloxycleroda-3,13(16),14-trien-18-oic acid, (rel)-
A natural product found in Dodonaea polyandra.
6,8-dimethyl-3-[(3-methyl-1-piperidinyl)-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-1H-quinolin-2-one
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-(1-piperidinyl)-3-pyridinecarboxamide
1-phenyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanone
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
(3R,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
(3R,6aR,8R,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aR,8R,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
(3R,6aR,8S,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aR,8S,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(2S,3S,3aR,9bR)-N-(cyclohexylmethyl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-N-(cyclohexylmethyl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
4-[(3aR,4R,9bR)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide
(1R,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octanoate
[1-Pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] hexanoate
[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] heptanoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] nonanoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (Z)-tetradec-9-enoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (Z)-tridec-9-enoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (Z)-pentadec-9-enoate
3,4 Dimethyl-6-(2-methylphenyl)-6-phenyl-1,1-bis(trimethlsilyl)-1-silacyclohex-3-ene
1-Oleoyl-sn-glycerol 3-phosphate
A 1-acyl-sn-glycerol 3-phosphate having oleoyl as the 1-O-acyl group.
1-Stearoyl-sn-glycero-3-phosphate(2-)
A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-sn-glycero-3-phosphate.
2-oleoyl-sn-glycero-3-phosphate
A 2-acyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl group is specified as oleoyl.
1-Palmityl-2-acetyl-sn-glycero-3-phosphate(2-)
A 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-palmityl-2-acetyl-sn-glycero-3-phosphate; major species at pH 7.3.
Glutathionylspermidinium(2+)
Dication of glutathionylspermidine arising from deprotonation of the terminal carboxy group and protonation of the primary and secondary amino groups; major species at pH 7.3.
LPEt(16:1)
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[8-(acetyloxy)-5-(1,3-dihydroxy-3-methylpent-4-en-1-yl)-1,5,6-trimethyl-2-oxo-4,6,7,8-tetrahydro-3h-naphthalen-1-yl]methyl acetate
3,18-dihydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.0¹,¹⁰.0⁴,⁹.0¹⁶,¹⁹]nonadecan-2-yl butanoate
(2r,3r,4s,6r,7s)-2-{[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl}-4-(acetyloxy)-7-hydroxy-1,5-dioxaspiro[2.4]heptan-6-yl acetate
(3s,6r,9s,14ar)-1,4,7-trihydroxy-3,6-dimethyl-9-{6-[(2s)-oxiran-2-yl]-6-oxohexyl}-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one
5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl benzoate
(1s,2s,4r,6s,8s,9r,10s,11s,13s,15r)-6-(acetyloxy)-8,11,15-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate
6-(acetyloxy)-3,8,11-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl acetate
(1s,3s,4r,6s,8s,9s,10r,11s,13s,15r)-6-(acetyloxy)-8,11,15-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-3-yl acetate
(4as,5s,6s,8as)-6-[(benzoyloxy)methyl]-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
4,5-dimethoxy-2-[3-methyl-2-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol
(1r,3s,4r,6s,8s,9r,10r,11s,13s,15r)-6-(acetyloxy)-3,8,11-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl acetate
(1s,2s,3s,4s,5s,6e,10r)-2,4-bis(acetyloxy)-3-isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-5-yl (2e)-2-methylbut-2-enoate
2,5-dimethoxy-4-{3-methoxy-4-[(2-methylpentan-2-yl)oxy]phenyl}-[1,1'-biphenyl]-3-ol
5-[(7-hydroxy-2,6-dimethyl-5,8-dioxonaphthalen-1-yl)methyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(1s,2r,3r,4s,6s,9s,10s,11s,13s,15r)-6-(acetyloxy)-2,11,15-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-3-yl acetate
9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-16-(2-methylpropoxy)-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-one
(1s,4s,4ar,6as,11as,11br)-1-hydroxy-3,4a,6',7,7',11a-hexamethyl-5,6,6a,11b-tetrahydro-1h,3'h-spiro[cyclohepta[a]naphthalene-4,2'-furo[3,2-c]pyran]-4',9-dione
(2s)-5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-methyl-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
12-benzoyloxycrotohalimaneicacid
{"Ingredient_id": "HBIN000739","Ingredient_name": "12-benzoyloxycrotohalimaneicacid","Alias": "NA","Ingredient_formula": "C27H32O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2251","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,5α,9α-trihydroxy-10β,13α-diacetoxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN005248","Ingredient_name": "2\u03b1,5\u03b1,9\u03b1-trihydroxy-10\u03b2,13\u03b1-diacetoxytaxa-4(20),11-diene","Alias": "NA","Ingredient_formula": "C24H36O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21689","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-O-Benzoyl-20-deoxyingenol
{"Ingredient_id": "HBIN009125","Ingredient_name": "3-O-Benzoyl-20-deoxyingenol","Alias": "NA","Ingredient_formula": "C27H32O5","Ingredient_Smile": "CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=C5)C)O)O)C","Ingredient_weight": "436.5 g/mol","OB_score": "12.27269666","CAS_id": "NA","SymMap_id": "SMIT04796","TCMID_id": "NA","TCMSP_id": "MOL002583","TCM_ID_id": "NA","PubChem_id": "121231388","DrugBank_id": "NA"}
5-O-Benzoyl-20-deoxyingenol
{"Ingredient_id": "HBIN011834","Ingredient_name": "5-O-Benzoyl-20-deoxyingenol","Alias": "NA","Ingredient_formula": "C27H32O5","Ingredient_Smile": "CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)OC(=O)C5=CC=CC=C5)C","Ingredient_weight": "436.5 g/mol","OB_score": "13.51543412","CAS_id": "NA","SymMap_id": "SMIT04798","TCMID_id": "NA","TCMSP_id": "MOL002585","TCM_ID_id": "NA","PubChem_id": "121231387","DrugBank_id": "NA"}
adenanthin e
{"Ingredient_id": "HBIN014676","Ingredient_name": "adenanthin e","Alias": "NA","Ingredient_formula": "C24H36O7","Ingredient_Smile": "CC(=O)OC1CC2C(C(CC(C2(C3C14CC(CC3O)C(=C)C4O)C)O)OC(=O)C)(C)C","Ingredient_weight": "436.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "609","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10982976","DrugBank_id": "NA"}
adenanthin h
{"Ingredient_id": "HBIN014679","Ingredient_name": "adenanthin h","Alias": "NA","Ingredient_formula": "C24H36O7","Ingredient_Smile": "CC(=O)OC1CC2C(C(CC(C2(C3C14CC(CC3O)C(=C)C4O)C)OC(=O)C)O)(C)C","Ingredient_weight": "436.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "612","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10972161","DrugBank_id": "NA"}