Chemical Formula: C21H36O7
Chemical Formula C21H36O7
Found 102 metabolite its formula value is C21H36O7
MG(5-iso PGF2VI/0:0/0:0)
MG(5-iso PGF2VI/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/5-iso PGF2VI/0:0)
MG(0:0/5-iso PGF2VI/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
10-O-beta-D-glucopyranosideoplopanone|oplopanone-8-O-beta-D-glucopyranoside
1-O-isopropyl-6-O-(5,9-dimethyl-2,8-decadienoyl)-beta-D-glucopyranoside|citrusoside A
1(R),4beta-dihydroxy-trans-eudesm-6-ene-1-O-beta-D-glucopyranoside
3beta,11-dihydroxy-drim-8(12)-en-11-O-beta-D-glucopyranoside|xianglinmaojueside A
3beta-[(beta-D-glucopyranosyl)oxy]eudesm-4(14)-en-11-ol
1alpha,6beta-dihydroxy-5,10-bis-epi-eudesm-4(15)-ene-6-O-beta-D-glucopyranoside|funingensin A
7-drimen-3beta-,11-diol 3-O-beta-D-glucopyranoside
3alpha-hydroxypatchoulol 3-O-beta-D-glucopyranoside
(2R*,5S*,7R*,10S*)-7-hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane
1beta-hydroxy-3-oxo-4beta,5alpha,7alpha-H-eudesmane 11-O-alpha-L-rhamnopyranoside
2,7,11-trihydroxybisabola-1(15),9-diene 7-beta-D-fucopyranoside
2,7,10-trihydroxybisabola-1(15),11-diene 7-beta-D-fucopyranoside
(5S,6E)-5-beta-D-glucopyranosyloxy-3-hydroxy-3,7,11-trimethyldodeca-1,6,10-triene|amarantholidoside III
3beta,11-dihydroxy-drim-8(12)-en-3-O-beta-D-glucopyranoside|xianglinmaojueside B
1beta-(beta-D-glucopyranosyl)oxy-6alpha-hydroxyeudesman-4(15)-ene|1??-D-Glucopyranosyloxy-6??-hydroxyeudesman-4(15)-ene
1(R),4beta-dihydroxy-trans-eudesm-7-ene-1-O-beta-D-glucopyranoside|oplodiol 1-O-beta-D-glucopyranoside
11,14-dihydroxy-drim-8(12)-en-11-O-beta-D-glucopyranoside|xianglinmaojueside C
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000846078]
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based: Match]
rel-(2R,5S,7R,10S)-7-Hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane
A natural product found in Carthamus oxyacantha.
2-[(5-hydroxy-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r)-2-[(2r,5s)-5-[(2s)-2-{[(2s)-2-[(2s,5r)-5-[(2r)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxy}butyl]oxolan-2-yl]propanoic acid
(2s,3r,4s,5r,6r)-2-({2-[(2r,5r,7r,10r)-7-hydroperoxy-10-methyl-6-methylidenespiro[4.5]decan-2-yl]propan-2-yl}oxy)-6-methyloxane-3,4,5-triol
2-(hydroxymethyl)-6-{[5-(hydroxymethyl)-1,1,4a-trimethyl-6-methylidene-hexahydro-2h-naphthalen-2-yl]oxy}oxane-3,4,5-triol
(2r,3r,4s,5r,6r)-2-{[(1s,4s,4as,8as)-4-hydroxy-4,8a-dimethyl-6-(propan-2-ylidene)-hexahydro-1h-naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r)-2-[(2r,5s)-5-[(2s)-2-{[(2s)-2-[(2s,5r)-5-[(2r)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxy}propyl]oxolan-2-yl]propanoic acid
(2r,3r,4s,5s,6r)-2-{[(1ar,3as,4s,7s,7as,7br)-7-hydroxy-1,1,3a,7-tetramethyl-octahydrocyclopropa[a]naphthalen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(1s,4s,4as,8as)-4-hydroxy-1,4a-dimethyl-7-(propan-2-ylidene)-hexahydro-2h-naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5r,6r)-2-{[(1s,4s,4as,8as)-4-hydroxy-1,4a-dimethyl-7-(propan-2-ylidene)-hexahydro-2h-naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1β-d-glucopyranosyloxy-6α-hydroxy-eudesman-4(15)-ene
{"Ingredient_id": "HBIN002393","Ingredient_name": "1\u03b2-d-glucopyranosyloxy-6\u03b1-hydroxy-eudesman-4(15)-ene","Alias": "NA","Ingredient_formula": "C21H36O7","Ingredient_Smile": "CC(C)C1CCC2(C(CCC(=C)C2C1O)OC3C(C(C(C(O3)CO)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8691","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
atractyloside c
{"Ingredient_id": "HBIN017303","Ingredient_name": "atractyloside c","Alias": "NA","Ingredient_formula": "C21H36O7","Ingredient_Smile": "CC12CCC(CC1C(=C)CC(C2)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "400.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14420","TCMID_id": "1976","TCMSP_id": "NA","TCM_ID_id": "6491","PubChem_id": "101831401","DrugBank_id": "NA"}
2-(hydroxymethyl)-6-{[6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-octahydronaphthalen-1-yl]oxy}oxane-3,4,5-triol
2-{[2-(6-hydroxy-4a-methyl-8-methylidene-octahydronaphthalen-2-yl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1-[(1s,3ar,4s,7s,7as)-7-isopropyl-4-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroinden-1-yl]ethanone
2-[(4-hydroxy-6-isopropyl-4,8a-dimethyl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-{[4-hydroxy-1,4a-dimethyl-7-(propan-2-ylidene)-hexahydro-2h-naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3s,4s,5s,6s)-2-{[(1r,2s,4ar,5r,8ar)-5-hydroxy-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-({2-[(1r,4r,4ar,8as)-4-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(3s,5s,6e)-3-hydroxy-3,7,11-trimethyldodeca-1,6,10-trien-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1r,4s,4ar,8ar)-4-hydroxy-6-isopropyl-4,8a-dimethyl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(2s,4as,5s,8ar)-5-(hydroxymethyl)-1,1,4a-trimethyl-6-methylidene-hexahydro-2h-naphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1r,3r,5r,6r,7s,8s)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.0³,⁸]undecan-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-[(4-hydroxy-6-isopropyl-4,8a-dimethyl-1,2,3,4a,7,8-hexahydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-{5-[2-({2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyl}oxy)propyl]oxolan-2-yl}propanoic acid
10-heptyl-7,8-dihydroxy-2-oxo-3,4,7,8,9,10-hexahydrooxecin-4-yl 3-hydroxy-2-methylbutanoate
(2r,3r,4s,5s,6r)-2-{[(1r,2s,4ar,5r,8ar)-5-hydroxy-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(2s,4as,7r,8ar)-7-(2-hydroxypropan-2-yl)-4a-methyl-1-methylidene-octahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1s,4ar,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-(hydroxymethyl)-6-{[7-(2-hydroxypropan-2-yl)-4a-methyl-1-methylidene-octahydronaphthalen-2-yl]oxy}oxane-3,4,5-triol
1-[(1s,3ar,4r,7s,7as)-7-isopropyl-4-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroinden-1-yl]ethanone
(2r)-2-[(2r,5s)-5-[(2s)-2-{[(2s)-2-[(2r,5s)-5-[(2s)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxy}butyl]oxolan-2-yl]propanoic acid
(2r,3r,4s,5s,6r)-2-{[(1r,3s,4s,7r,8s)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.0³,⁸]undecan-4-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1-(7-isopropyl-4-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroinden-1-yl)ethanone
(1s,2s,5s,8r,9r,12s,14r)-8-hydroxy-5-[(2r)-2-hydroxybutyl]-2,9,12-trimethyl-4,11,17-trioxabicyclo[12.2.1]heptadecane-3,10-dione
(2r,3r,4s,5s,6r)-2-{[(2s,4as,5s,8ar)-5-(hydroxymethyl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
8-hydroxy-5-(2-hydroxybutyl)-2,9,12-trimethyl-4,11,17-trioxabicyclo[12.2.1]heptadecane-3,10-dione
(2s,3r,4s,5s,6r)-2-({2-[(2r,4ar,8ar)-8-(hydroxymethyl)-4a-methyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-{5-[2-({2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyl}oxy)butyl]oxolan-2-yl}propanoic acid
(2s,3r,4s,5s,6r)-2-({2-[(2r,4as,6s,8as)-6-hydroxy-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1r,2s,4as,5s,8ar)-5-hydroxy-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1s,4s,4as,8as)-4-hydroxy-4,8a-dimethyl-6-(propan-2-ylidene)-hexahydro-1h-naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1r,4as,6r,8ar)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-octahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-{[4-hydroxy-4,8a-dimethyl-6-(propan-2-ylidene)-hexahydro-1h-naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-({2-[(2r,4ar,6s,8as)-6-hydroxy-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(5s,6e)-3-hydroxy-3,7,11-trimethyldodeca-1,6,10-trien-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1s,4ar,6s,8as)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(4s,5e,7r,8s,10r)-10-heptyl-7,8-dihydroxy-2-oxo-3,4,7,8,9,10-hexahydrooxecin-4-yl (2s,3s)-3-hydroxy-2-methylbutanoate
2-[(3-hydroxy-3,7,11-trimethyldodeca-1,6,10-trien-5-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-({2-[(1r,4r,4ar,8ar)-4-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-(hydroxymethyl)-6-{[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1r,4s,4ar,8ar)-4-hydroxy-6-isopropyl-4,8a-dimethyl-1,2,3,4a,7,8-hexahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
TG(18:0CHO)
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TG(10:0CHO_4:0_4:0)
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TG(14:0_4:0CHO)
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TG(6:0CHO_6:0_6:0)
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TG(8:0_4:0CHO_6:0)
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TG(8:0CHO_4:0_6:0)
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TG(3:0_6:0_9:0CHO)
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TG(5:0_4:0_9:0CHO)
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TG(9:0_4:0CHO_5:0)
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