Exact Mass: 448.3916242
Exact Mass Matches: 448.3916242
Found 208 metabolites which its exact mass value is equals to given mass value 448.3916242,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
typhasterol
2-deoxycastasterone, also known as typhasterol, belongs to trihydroxy bile acids, alcohols and derivatives class of compounds. Those are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. 2-deoxycastasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-deoxycastasterone can be found in a number of food items such as canola, kumquat, asparagus, and salmonberry, which makes 2-deoxycastasterone a potential biomarker for the consumption of these food products.
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol is a constituent of cane sugar (Saccharum officinarum) Constituent of cane sugar (Saccharum officinarum).
6-Deoxodolichosterone
Constituent of Phaseolus vulgaris (kidney bean) and Dolichos lablab (hyacinth bean). 6-Deoxodolichosterone is found in many foods, some of which are common bean, hyacinth bean, pulses, and yellow wax bean. 6-Deoxodolichosterone is found in common bean. 6-Deoxodolichosterone is a constituent of Phaseolus vulgaris (kidney bean) and Dolichos lablab (hyacinth bean)
Arachidonoylcarnitine
C27H46NO4 (448.34266560000003)
Arachidonyl carnitine is an acylcarnitine. Numerous disorders have been described that lead to disturbances in energy production and in intermediary metabolism in the organism which are characterized by the production and excretion of unusual acylcarnitines. A mutation in the gene coding for carnitine-acylcarnitine translocase or the OCTN2 transporter aetiologically causes a carnitine deficiency that results in poor intestinal absorption of dietary L-carnitine, its impaired reabsorption by the kidney and, consequently, in increased urinary loss of L-carnitine. Determination of the qualitative pattern of acylcarnitines can be of diagnostic and therapeutic importance. The betaine structure of carnitine requires special analytical procedures for recording. The ionic nature of L-carnitine causes a high water solubility which decreases with increasing chain length of the ester group in the acylcarnitines. Therefore, the distribution of L-carnitine and acylcarnitines in various organs is defined by their function and their physico-chemical properties as well. High performance liquid chromatography (HPLC) permits screening for free and total carnitine, as well as complete quantitative acylcarnitine determination, including the long-chain acylcarnitine profile. (PMID: 17508264, Monatshefte fuer Chemie (2005), 136(8), 1279-1291., Int J Mass Spectrom. 1999;188:39-52.) [HMDB] Arachidonyl carnitine is an acylcarnitine. Numerous disorders have been described that lead to disturbances in energy production and in intermediary metabolism in the organism which are characterized by the production and excretion of unusual acylcarnitines. A mutation in the gene coding for carnitine-acylcarnitine translocase or the OCTN2 transporter aetiologically causes a carnitine deficiency that results in poor intestinal absorption of dietary L-carnitine, its impaired reabsorption by the kidney and, consequently, in increased urinary loss of L-carnitine. Determination of the qualitative pattern of acylcarnitines can be of diagnostic and therapeutic importance. The betaine structure of carnitine requires special analytical procedures for recording. The ionic nature of L-carnitine causes a high water solubility which decreases with increasing chain length of the ester group in the acylcarnitines. Therefore, the distribution of L-carnitine and acylcarnitines in various organs is defined by their function and their physico-chemical properties as well. High performance liquid chromatography (HPLC) permits screening for free and total carnitine, as well as complete quantitative acylcarnitine determination, including the long-chain acylcarnitine profile. (PMID: 17508264, Monatshefte fuer Chemie (2005), 136(8), 1279-1291., Int J Mass Spectrom. 1999;188:39-52.).
(1Ar,3S,4aS,7S,8aS)-3-[(1S,2R,3R)-3-[(2R,5S)-5,6-dimethylheptan-2-yl]-2-(2-hydroxyethyl)-2-methylcyclopentyl]-7-hydroxy-4a-methyl-2,3,5,6,7,8-hexahydro-1aH-naphtho[4,4a-b]oxiren-4-one
-3beta,11-dihydroxy-5beta,6beta-epoxy-24-methyl-9,11-secocholestan-9-one
(3beta,7alpha,24()-Ergost-5-ene-3,7,24,28-tetrol|(3beta,7alpha,24xi)-Ergost-5-ene-3,7,24,28-tetrol
(25S)-24-methyl-5alpha-cholest-24(28)-ene-3beta,6beta,15alpha,26-tetrol|certonardosterol E
24S-24-methyl cholest-25-ene-3beta,5alpha,6beta,12beta-tetrol
(24S)-ergost-7-ene-3beta,5alpha,6beta,9alpha-tetrol
(3beta,5alpha,6beta)-24-methylcholest-24(28)-ene-3,5,6,19-tetrol|(3beta,5alpha,6beta)-ergost-24(28)-en-3,5,6,19-tetrol|(3beta,5alpha,6beta)-ergost-24(28)-ene-3,5,6,19-tetrol|24-methylcholest-24(28)-ene-3beta,5alpha,6beta,19-tetraol|24-Methylcholest-24(28)-ene-3??,5??,6??,19-tetraol|24-methylcholesta-24(28)-ene-3beta,5alpha,6beta,19-tetraol|24-methylenecholesta-3beta,5alpha,6beta,19-tetrol
3beta,12beta-dihydroxy-24alpha-methoxy-25,26,27-trinordammara-20,24-epoxy
(1S,3R)-2,2-dimethyl-4-methylidene-3-(3-oxobutyl)cyclohexyl hexadecanoate|9-oxomegastigm-5(13)-ene-2beta-palmitate
(24S)-24-Methylcholestane-3beta,5alpha,25-triol-6-one|3beta,5alpha,25-trihydroxy-24S-methylcholestan-6-one
(20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol
A natural product found in Melia toosendan.
24(R)-methyl-11alpha,12alpha-epoxy-cholestan-1alpha,3beta,6beta-triol
(24S)-24-Methylcholest-22E-ene-3beta,5alpha,6beta,25-tetrol
5alpha-Stigmastane-3beta,5,6beta-triol 3-monobenzoate
6-Deoxodolichosterone
4-(TRANS-4-PENTYLCYCLOHEXYL)-4-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUOROBIPHENYL
trans,trans-2-Fluor-4-(4-pentylcyclohexyl)-4-(4-propyl-cyclohexyl)-1,1-biphenyl
n-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-2-dodecylsuccinimide
[4(R)-[trans(trans)]]-1,3-Difluoro-2-[(1-methylheptyl)oxy]-5-(4-propyl[1,1-bicyclohexyl]-4-yl)benzene
C29H46F2O (448.35165299999994)
[4(S)-[trans(trans)]]-1,3-Difluoro-2-[(1-methylheptyl)oxy]-5-(4-propyl[1,1-bicyclohexyl]-4-yl)benzene
C29H46F2O (448.35165299999994)
2-Deoxycastasterone
2-Deoxycastasterone, also known as typhasterol, belongs to the class of organic compounds known as trihydroxy bile acids, alcohols, and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. Thus, 2-deoxycastasterone is considered to be a sterol lipid molecule. 2-Deoxycastasterone is found in cereals and cereal products. 2-Deoxycastasterone is a constituent of green tea (Thea sinensis) and wheat grains (Triticum aestivum).
[3-carboxy-2-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyl]oxypropyl]-trimethylazanium
C27H46NO4+ (448.34266560000003)
[3-carboxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl]-trimethylazanium
C27H46NO4+ (448.34266560000003)
[(7E,10E,13E,16E)-2-(carboxymethyl)-2-hydroxy-3-oxodocosa-7,10,13,16-tetraenyl]-trimethylazanium
C27H46NO4+ (448.34266560000003)
[3-carboxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl]-trimethylazanium
C27H46NO4+ (448.34266560000003)
[1-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoxy]-3-hydroxypropan-2-yl] propanoate
[1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoxy]propan-2-yl] heptanoate
[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-hydroxypropan-2-yl] nonanoate
[1-hydroxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoxy]propan-2-yl] pentanoate
(1-hydroxy-3-nonoxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
Typhasterol
A brassinosteroid that is ergostan-6-one bearing three additional hydroxy substituents at positions 3alpha, 22R and 23R.
Stigmastane-3beta,5alpha,6beta-triol
A 3beta-hydroxy steroid that is stigmastane substituted by hydroxy groups at positions 3, 5 and 6 (the 3beta,5alpha,6beta stereoisomer). It has been isolated from the roots of Breynia fruticosa.
(1r,3as,3bs,5as,7r,9ar,9bs,11ar)-1-[(2s,3r,4r,5r)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
(1r,2s,3as,3bs,4s,7s,9ar,9bs,11as)-1-[(2s,5r)-2-hydroxy-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,4,7-triol
1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol
1-(5,6-dimethylhept-6-en-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,11-tetrol
6-(5,6-dimethylheptan-2-yl)-5,18-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0⁵,⁹.0¹³,¹⁸]octadecane-12,15,17-triol
(1r,3as,3bs,4s,7s,9ar,9bs,11ar)-1-[(2r)-5,6-dihydroxy-5-isopropylhexan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol
(4e,6s,7s,8e,10s,11s,12e,14s,15s,16e,18s)-7,11,15-trihydroxy-4,6,8,10,12,14,16,18-octamethylicosa-4,8,12,16-tetraen-3-one
(1r,3as,3bs,5as,7s,9ar,9bs,11ar)-1-[(2s,3r,4r,5r)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
(1r,3ar,5r,5ar,7s,9ar,9br,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-5,5a,7,9b-tetrol
(24R)-stigmastan-3β , 5α, 6β-triol3-O-β-D-glucopyranoside
{"Ingredient_id": "HBIN004515","Ingredient_name": "(24R)-stigmastan-3\u03b2 , 5\u03b1, 6\u03b2-triol3-O-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C29H52O3","Ingredient_Smile": "CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41877","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β,5α,6β-trihydroxystigmastane
{"Ingredient_id": "HBIN008089","Ingredient_name": "3\u03b2,5\u03b1,6\u03b2-trihydroxystigmastane","Alias": "NA","Ingredient_formula": "C29H52O3","Ingredient_Smile": "CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21832","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,3r,3as,3br,5s,5as,7s,9ar,9bs,11ar)-1-[(2s,3e,5r)-6-hydroxy-5-isopropylhex-3-en-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,7-triol
9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,9-tetrol
3-henicosyl-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
(1r,3s,3as,3br,5r,5as,7s,9ar,9bs,11ar)-1-[(2r,3e,5r,6s)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,7-triol
(1r,3as,3bs,7r,9s,9ar,9bs,10r,11as)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-11a-(hydroxymethyl)-9a-methyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-7,9,10-triol
(5r,6s)-6-[(1r,3as,3bs,9ar,9bs,11as)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-3-(hydroxymethyl)-2-methylheptane-2,5-diol
4-carbamimidamidobutyl 1-imino-3-undecyl-2h,3h,5h,6h,7h-pyrrolo[1,2-c]pyrimidine-4-carboxylate
C24H44N6O2 (448.35255639999997)
(1r,3r,3as,3br,5s,5as,7s,9ar,9bs,11ar)-1-[(2r,3e,5r)-6-hydroxy-5-isopropylhex-3-en-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,7-triol
(1r,3as,3bs,5as,7s,9ar,9bs,11as)-1-[(2r,3r,4r,5s)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-tetradecahydrocyclopenta[a]phenanthrene-4,5,5a,7-tetrol
(1r,3r,3as,3br,5s,5as,7s,9ar,9bs,11ar)-1-[(2r,3e,5r,6s)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,7-triol
(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol
(1r,3as,3bs,5r,5ar,7s,9s,9as,9bs,11ar)-9a,11a-dimethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,9-tetrol
(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-9a-(hydroxymethyl)-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol
(1r,3bs,5as,7r,9ar,9bs,11as)-1-[(2s,3r,4r,5s)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
(1r,3ar,3bs,5as,7r,9ar,9bs,11as)-1-[(2s,3r,4r,5s)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
(1r,3r,3as,3br,5s,5as,7s,9ar,9bs,11ar)-1-[(2r,6s)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,7-triol
4-carbamimidamidobutyl (3r)-1-imino-3-undecyl-2h,3h,5h,6h,7h-pyrrolo[1,2-c]pyrimidine-4-carboxylate
C24H44N6O2 (448.35255639999997)
(1r,3as,3bs,5as,7r,9ar,9bs,11ar)-1-[(2s,3r,4r,5s)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
1-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
2-{7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptane-3,4-diol
(1r,3r,3as,3br,5s,5as,7s,9ar,9bs,11ar)-1-[(2s,3e,5r,6s)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,7-triol
(1r,3as,3bs,5as,7s,9ar,9bs,11ar)-1-[(2s,3r,4r,5s)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
9a-(hydroxymethyl)-11a-methyl-1-(6-methyl-5-methylideneheptan-2-yl)-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol
(1s,2r,6e,9z,12e,18s,19r,20r,27e)-16,22-diazapentacyclo[14.14.1.1³,²⁰.0¹,¹⁹.0²,²²]dotriaconta-3(32),6,9,12,27-pentaen-18-ol
(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11r,11ar)-1-[(2r,5s)-5,6-dimethylhept-6-en-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,11-tetrol
4-carbamimidamidobutyl (3s)-1-imino-3-undecyl-2h,3h,5h,6h,7h-pyrrolo[1,2-c]pyrimidine-4-carboxylate
C24H44N6O2 (448.35255639999997)