Chemical Formula: C27H44O4
Chemical Formula C27H44O4
Found 296 metabolite its formula value is C27H44O4
Digin
Gitogenin is a triterpenoid. Gitogenin is a natural product found in Yucca gloriosa, Allium rotundum, and other organisms with data available. Gitogenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Gitogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gitogenin can be found in fenugreek, which makes gitogenin a potential biomarker for the consumption of this food product. Gitogenin is a natural steroid isolated from the whole plant of Tribulus longipetalus. Gitogenin is a selective inhibitor of UDP-glucuronosyltransferase 1A4 (UGT1A4) and enzyme α-glucosidase with IC50 values of 0.69 μM (use trifluoperazine as a substrate) and 37.2 μM, respectively, and does not inhibit the activities of major human cytochrome P450 isoforms[1][2]. Gitogenin is a natural steroid isolated from the whole plant of Tribulus longipetalus. Gitogenin is a selective inhibitor of UDP-glucuronosyltransferase 1A4 (UGT1A4) and enzyme α-glucosidase with IC50 values of 0.69 μM (use trifluoperazine as a substrate) and 37.2 μM, respectively, and does not inhibit the activities of major human cytochrome P450 isoforms[1][2].
3beta,7alpha-Dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoate is found in the primary bile acid biosynthesis pathway. It is created from 3beta-Hydroxy-5-cholestenoate through the action of CYP7B (E1.14.13.100). 3beta,7alpha-Dihydroxy-5-cholestenoate is then converted into 7alpha-Hydroxy-3-oxo-4-cholestenoate by the action of HSD3B7 (EC:1.1.1.181).
24-Hydroxycalcitriol
24-Hydroxycalcitriol stimulates intestinal calcium transport but not bone calcium mobilization or phosphate transport reactions. (PMID: 163578). Vitamin D-24-hydroxylase (24-OHase) is a cytochrome P-450 enzyme that catalyzes the conversion of 1alpha,25-dihydroxyvitamin D3 [1,25-(OH)2D3] to 24-Hydroxycalcitriol (1,24,25-trihydroxyvitamin D3). (PMID: 9165006). The administration of 24-Hydroxycalcitriol at doses of 0.2 and 0.3 microg/kg/day produced strong anabolic effects, especially on vertebral cancellous bone that can prevent estrogen depletion-induced bone loss in ovariectomized (OVX) rats. (PMID: 9115161). 24-Hydroxycalcitriol stimulates intestinal calcium transport but not bone calcium mobilization or phosphate transport reactions. (PMID: 163578)
Rockogenin
Rockogenin is found in green vegetables. Rockogenin is a constituent of the famine food Agave americana.
Neochlorogenin
Aglycone from Solanum torvum (pea eggplant). Neochlorogenin is found in fruits. Neochlorogenin is found in fruits. Aglycone from Solanum torvum (pea eggplant
23S,25,26-Trihydroxyvitamin D3
This compound belongs to the family of Vitamin D and Derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
4-cholesten-7α,12α,24-triol-3-one
4-cholesten-7α,12α,24-triol-3-one is considered to be practically insoluble (in water) and relatively neutral. 4-cholesten-7α,12α,24-triol-3-one is a bile acid lipid molecule
7alpha,12alpha,26-trihydroxycholest-4-en-3-one
7alpha,12alpha,26-trihydroxycholest-4-en-3-one is also known as 4-Cholesten-7alpha,12alpha,26-triol-3-one. 7alpha,12alpha,26-trihydroxycholest-4-en-3-one is considered to be practically insoluble (in water) and relatively neutral. 7alpha,12alpha,26-trihydroxycholest-4-en-3-one is a bile acid lipid molecule
1alpha,23(S),25-trihydroxyvitamin D3
1alpha,23(S),25-trihydroxyvitamin D3, also known as 1,23,25-Trihydroxycholecalciferol or 1alpha,23S,25-(OH)3D3, is classified as a vitamin d or a Vitamin D derivative. Vitamin Ds are compounds containing a secosteroid backbone, usually secoergostane or secocholestane. 1alpha,23(S),25-trihydroxyvitamin D3 is considered to be practically insoluble (in water) and relatively neutral. 1alpha,23(S),25-trihydroxyvitamin D3 is a secosteroid lipid molecule D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid
3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid is also known as 3α,7β-dihydroxy-5β-cholest-24-en-26-Oate. 3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid is considered to be practically insoluble (in water) and acidic. 3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid is a bile acid lipid molecule
(25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-)
(25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-) is also known as (25R)-3β,4β-dihydroxycholest-5-en-26-Oic acid. (25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-) is considered to be practically insoluble (in water) and acidic
(25S)-1alpha,25,26-Trihydroxyvitamin D3/(25S)-1alpha,25S,26-trihydroxycholecalciferol
1,24,25-trihydroxyvitamin D3
(1R,3R)-5-[(2E)-2-[(3As,7aS)-1-[(1R)-1-[(2S)-3-hydroxy-2,3-dimethylbutoxy]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
(1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Neogitogenin
Gitogenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Gitogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gitogenin can be found in fenugreek, which makes gitogenin a potential biomarker for the consumption of this food product.
F-Chlorogenin
F-chlorogenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. F-chlorogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). F-chlorogenin can be found in soft-necked garlic, which makes F-chlorogenin a potential biomarker for the consumption of this food product.
(22R,25)-epoxycholest-7-ene-2beta,3beta,4beta-triol
20S-thornasterol A|3beta,6alpha,20xi-trihydroxy-5alpha-cholest-9(11)-en-23-one|Thornasterol A
(20S,22S,25S)-5alpha-furostan-22,25-epoxy-3beta,26-diol
3beta,6alpha,11-trihydroxy-9,11-seco-5alpha-cholest-7,24-dien-9-one|subergorgol H
(22E)-3beta,5alpha,6beta-trihydroxycholest-22-en-1-one
(22E)-3beta,6alpha,11-trihydroxy-9,11-seco-5alpha-cholest-7,22-dien-9-one|subergorgol I
2beta,3beta,6alpha-trihydroxycholest-7-en-23-one|grandol F
(22E)-1beta,3beta,5alpha-trihydroxycholest-22-en-6-one
2beta,3beta,6alpha-trihydroxycholest-8-en-23-one|grandol B
(3S,5E,7E,10S)-23,26-Epoxy-9,10-secocholesta-5,7-diene-3,25,26-triol
(24S)-3beta,6alpha,24-trihydroxy-5alpha-cholest-8(14)-en-15-one|certonardosterol Q6
(3S,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,23,24,25-tetrol
(3S,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol
(3beta,5alpha,6beta,9alpha,11alpha)-9,11-Epoxycholest-7-ene-3,5,6-triol|9alpha,11alpha-epoxy-5alpha-cholest-7-en-3beta,5,6beta-triol|9alpha,11alpha-epoxy-5alpha-cholest-7-ene-3beta,5,6beta-triol|9alpha,11alpha-epoxycholest-7-ene-3beta,5alpha,6beta-triol
(3beta,6alpha)-form-3,6-Dihydroxy-9-oxo-9,11-secocholest-7-en-11-al
(3S,5E,7E,10S)-3,23,25-Trihydroxy-9,10-secocholesta-5,7-dien-24-one
(3beta, 5alpha, 6beta, 9alpha, 22E)-Cholesta-7, 22-diene-3, 5, 6, 9-tetrol, 9CI
Chlorogenin
Chlorogenin is a triterpenoid. Chlorogenin is a natural product found in Yucca gloriosa, Solanum torvum, and other organisms with data available.
(7E)-(1S,3R,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3-diol
(7E)-(1S,3R,6S)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3-diol
(7E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-3,25-diol
(7E)-(3S,6S)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-3,25-diol
1α,25-dihydroxy-24a-homo-22-oxavitamin D3 / 1α,25-dihydroxy-24a-homo-22-oxacholecalciferol
(5Z,7E)-(1S,3R,20R)-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol
(5Z,7E)-(1S,3R)-10,19-methano-23-oxa-9,10-seco-5,7-cholestadiene-1,3,25-triol
1α,2,25-trihydroxyvitamin D3 / 1α,2,25-trihydroxycholecalciferol
1α,11α,25-trihydroxyvitamin D3 / 1α,11α,25-trihydroxycholecalciferol
1α,11β,25-trihydroxyvitamin D3 / 1α,11β,25-trihydroxycholecalciferol
1α,18,25-trihydroxyvitamin D3 / 1α,18,25-trihydroxycholecalciferol
(20S)-1α,20,25-trihydroxyvitamin D3 / (20S)-1α,20,25-trihydroxycholecalciferol
(5Z,7E)-(1S,3R,20R,22R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol
(23S)-1α,23,25-trihydroxyvitamin D3 / (23S)-1α,23,25-trihydroxycholecalciferol
(24S)-1α,24,25-trihydroxyvitamin D3 / (24S)-1α,24,25-trihydroxycholecalciferol
(5E,7E)-(1S,3R,25R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25,26-tetrol
(25S)-1α,25,26-trihydroxyvitamin D3 / (25S)-1α,25S,26-trihydroxycholecalciferol
22,24,25-trihydroxyvitamin D3 / 22,24,25-trihydroxycholecalciferol
(23S)-23,24,25-trihydroxyvitamin D3 / (23S)-23,24,25-trihydroxycholecalciferol
(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R)-23,25,26-trihydroxycholecalciferol
24,25,26-trihydroxyvitamin D3 / 24,25,26-trihydroxycholecalciferol
(23R)-1α,23,25-trihydroxyvitamin D3 / (23R)-1α,23,25-trihydroxycholecalciferol
3alpha,7alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid
3alpha,7alpha-Dihydroxy-5beta-cholest-23-en-26-oic acid
3alpha,7beta-Dihydroxy-5beta-cholest-24-en-26-oic acid
A C27 bile acid that is 5beta-cholest-24-en-26-oic acid substituted by hydroxy groups at positions 3alpha and 7beta.
3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid
(6R)-6,19-epidioxy-1alpha-hydroxy-6,19-dihydrovitamin D3
(6S)-6,19-epidioxy-1alpha-hydroxy-6,19-dihydrovitamin D3
(6R)-6,19-epidioxy-25-hydroxy-6,19-dihydrovitamin D3
(6S)-6,19-epidioxy-25-hydroxy-6,19-dihydrovitamin D3
1alpha,25-dihydroxy-24a-homo-22-oxavitamin D3 / 1alpha,25-dihydroxy-24a-homo-22-oxacholecalciferol
1alpha,25-dihydroxy-24a-homo-22-oxa-20-epivitamin D3
1alpha,2,25-trihydroxyvitamin D3 / 1alpha,2,25-trihydroxycholecalciferol
1alpha,11alpha,25-trihydroxyvitamin D3 / 1alpha,11alpha,25-trihydroxycholecalciferol
1alpha,11beta,25-trihydroxyvitamin D3 / 1alpha,11beta,25-trihydroxycholecalciferol
1alpha,18,25-trihydroxyvitamin D3 / 1alpha,18,25-trihydroxycholecalciferol
(20S)-1alpha,20,25-trihydroxyvitamin D3
(22R)-1alpha,22,25-trihydroxy-20-epivitamin D3
(23S)-1alpha,23,25-trihydroxyvitamin D3
(24S)-1alpha,24,25-trihydroxyvitamin D3 / (24S)-1alpha,24,25-trihydroxycholecalciferol
(25S)-1alpha,25,26-trihydroxyvitamin D3 / (25S)-1alpha,25S,26-trihydroxycholecalciferol
(23S)-23,24,25-trihydroxyvitamin D3
(23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol
CDMDHC
Methyl (3α,5β,6α)-6-ethyl-3-hydroxy-7-oxocholan-24-oate
Neochlorogenin
Aglycone from Solanum torvum (pea eggplant). Neochlorogenin is found in fruits. Neochlorogenin is found in fruits. Aglycone from Solanum torvum (pea eggplant
(20S)-1alpha,20,25-trihydroxyvitamin D3/(20S)-1alpha,20,25-trihydroxycholecalciferol
1alpha,24(R),25-trihydroxyvitamin D3
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(5Z)-5-[(2E)-2-[1-(5,6-dihydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(1R,3R)-5-[(2E)-2-[(3As,7aS)-1-[(1R)-1-[(2S)-3-hydroxy-2,3-dimethylbutoxy]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
(5Z)-5-[(2E)-2-[1-(6,7-dihydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(5Z)-5-[(2E)-2-[1-(4,6-dihydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(20S,23,25)-trihydroxyvitamin D3
A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 25.
(20S,23,24)-trihydroxyvitamin D3
A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 24.
Barogenin
A cholestanoid that is cholest-5-ene substituted by hydroxy groups at positions 3 and 26 and oxo groups at positions 16 and 22 respectively.
1alpha,2beta,25-trihydroxy vitamin D3
A hydroxy seco-steroid that is calciol carrying three additional hydroxy substituents at positions 1alpha, 2beta and 25.
(24S)-7alpha,12alpha,24-trihydroxycholest-4-en-3-one
7alpha,12alpha,24-trihydroxycholest-4-en-3-one with S-configuration at C-24.
(25R)-3beta,4beta-Dihydroxycholest-5-en-26-Oic acid
A steroid acid resulting from stereoselective oxidation of one of the terminal methyl groups of 4beta-hydroxycholesterol to the corresponding carboxylic acid.
[1-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] hexanoate
[1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoxy]-3-hydroxypropan-2-yl] acetate
[1-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] butanoate
7alpha,12alpha,26-trihydroxycholest-4-en-3-one
A cholestanoid that is cholest-4-en-3-one which has been substituted by hydroxy groups at the 7alpha, 12alpha, and 26 positions. It is an intermediate in bile acid metabolism.
1alpha,23(S),25-trihydroxyvitamin D3
A hydroxycalciol that consists of vitamin D3 (calciol) bearing additional hydroxy substituents at positions 1, 23 and 25 (with 1alpha,23S-configuration). An intermediate in the degradation pathway of 1alpha,25-(OH)2D3. D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(5Z,7E)-(1S,3R,24S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol
5alpha,9alpha-epidioxy-cholest-7-en-3beta,6beta-diol
DG(24:5)
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(1'r,2r,2's,4's,5s,7's,8'r,9's,12's,13's,16's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-5,16'-diol
(1'r,2r,2's,3'r,4'r,5r,7's,8'r,9's,12's,13's,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3',16'-diol
(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13's,14'r,16'r,18'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',16'-diol
(1as,4as,7s,8ar)-7-hydroxy-3-[(1r,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(2r)-6-methylheptan-2-yl]cyclopentyl]-4a-methyl-1ah,5h,6h,7h,8h-naphtho[1,8a-b]oxiren-4-one
5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-5,16'-diol
5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',16'-diol
2-[2-(4,6-dihydroxy-8a-methyl-1-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl)-1-methyl-5-(6-methylheptan-2-yl)cyclopentyl]acetaldehyde
3a,7,9b-trihydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,3as,3br,5as,9as,9bs,11as)-1-hydroxy-1-[(2r,3r,6r)-2-hydroxy-6-isopropyloxan-3-yl]-9a,11a-dimethyl-dodecahydro-2h-cyclopenta[a]phenanthren-7-one
(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13's,16's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-5,16'-diol
(1r,3as,5as,7r,9as,9bs,11ar)-3a,7,9b-trihydroxy-9a,11a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one
[(3r,5s)-5-[(2s,4s)-2,4-dimethyl-12-phenyldodecyl]-3,5-dimethyl-1,2-dioxolan-3-yl]acetic acid
(1r,2s,5s,7r,8r,11r,14r,15r,17r)-2,15-dimethyl-14-[(2r)-6-methylheptan-2-yl]-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadec-9-ene-5,7,8-triol
[(3r,5s)-5-[(2s,4r)-2,4-dimethyl-12-phenyldodecyl]-3,5-dimethyl-1,2-dioxolan-3-yl]acetic acid
(1's,2's,4's,5r,7's,8'r,9's,12's,13's,14'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',16'-diol
{13-[(acetyloxy)methyl]-5,9-dimethyltetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl 2-methylbutanoate
12-epirockogenin
{"Ingredient_id": "HBIN000845","Ingredient_name": "12-epirockogenin","Alias": "NA","Ingredient_formula": "C27H44O4","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CCC(C6)O)C)O)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15269","TCMID_id": "7007","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
barbourgenin
{"Ingredient_id": "HBIN017598","Ingredient_name": "barbourgenin","Alias": "NA","Ingredient_formula": "C27H44O4","Ingredient_Smile": "CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)OC16CCC(CO6)CO","Ingredient_weight": "432.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2150","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129125","DrugBank_id": "NA"}