Exact Mass: 444.3967092
Exact Mass Matches: 444.3967092
Found 228 metabolites which its exact mass value is equals to given mass value 444.3967092,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
dammarenediol
Dammarenediol-II is a tetracyclic triterpenoid that is dammarane which has a double bond between positions 24 and 25, and is substituted by hydroxy groups at the 3beta- and 20- positions. It has a role as a metabolite. It is a tetracyclic triterpenoid, a secondary alcohol and a tertiary alcohol. It derives from a hydride of a dammarane. Dammarenediol II is a natural product found in Olea capensis, Aglaia abbreviata, and other organisms with data available. A tetracyclic triterpenoid that is dammarane which has a double bond between positions 24 and 25, and is substituted by hydroxy groups at the 3beta- and 20- positions.
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate is a steroid biosynthesis intermediate. It is a substrate for sterol-4-alpha-carboxylate 3-dehydrogenase (EC 1.1.1.170) and participates in the following reaction: 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate + NAD(P)+ = 4alpha-methyl-5alpha-cholest-7-en-3-one + CO2 + NAD(P)H. It is also produced by methylsterol hydroxylase. It participates in the following reaction: 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde + NAD(P)H + H+ + O2 = 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate + NAD(P)+ + H2O [HMDB] 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate is a steroid biosynthesis intermediate. It is a substrate for sterol-4-alpha-carboxylate 3-dehydrogenase (EC 1.1.1.170) and participates in the following reaction: 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate + NAD(P)+ = 4alpha-methyl-5alpha-cholest-7-en-3-one + CO2 + NAD(P)H. It is also produced by methylsterol hydroxylase. It participates in the following reaction: 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde + NAD(P)H + H+ + O2 = 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate + NAD(P)+ + H2O.
Dammarenediol-I
gamma-Taraxastane-3,20-diol
gamma-Taraxastane-3,20-diol is found in fruits. gamma-Taraxastane-3,20-diol is a constituent of Mangifera indica (mango) Constituent of Mangifera indica (mango). gamma-Taraxastane-3,20-diol is found in fruits.
3beta-Cycloartane-3,29-diol
3beta-Cycloartane-3,29-diol is found in fruits. 3beta-Cycloartane-3,29-diol is a constituent of Mangifera indica (mango). Constituent of Mangifera indica (mango). 3beta-Cycloartane-3,29-diol is found in fruits.
Schleichol 1
Schleichol 2 is a constituent of the famine food Schleichera oleosa.
3beta-Cycloartane-3,25-diol
3beta-Cycloartane-3,25-diol is found in cereals and cereal products. 3beta-Cycloartane-3,25-diol is a constituent of mature wheat straw (Triticum aestivum).
(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol
(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol is found in mushrooms. (3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol is a constituent of Lentinula edodes (shiitake). Constituent of Lentinula edodes (shiitake). (3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol is found in mushrooms.
Schleicherastatin 5
Schleicherastatin 5 is found in fruits. Schleicherastatin 5 is a constituent of the famine food Schleichera oleosa Constituent of the famine food Schleichera oleosa. Schleicherastatin 5 is found in fruits.
4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol
4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol is a 3-beta-hydroxysterol that is an intermediate in cholesterol biosynthesis. It is a substrate for lanosterol 14alpha-demethylase (CYP51A1) and can be generated from the enzymatic oxidation of 24,25-dihydrolanosteroland and from the enzymatic reduction of 4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol. The sequence of reactions and the types of intermediates in cholesterol biosynthesis may vary. Alternate routes exist because reduction of the carbon 24,25 double bond on the hydrocarbon side chain of the sterol ring structure by sterol delta24-reductase can occur at multiple points in the pathway, giving rise to different intermediates. These intermediates, with or without a double bond in the hydrocarbon side chain, can serve as substrates for the other enzymes in the pathway.
4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol is a 3-beta-hydroxysterol that is an intermediate in cholesterol biosynthesis II (via 24,25-dihydrolanosterol). It is a substrate for C-4 methyl sterol oxidase (SC4MOL) and can be generated from the enzymatic oxidation of 4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol. It is also a substrate for NAD(P)-dependent steroid dehydrogenase (H105E3) and can be generated from the enzymatic carboxylation of 4alpha-methyl-5alpha-cholesta-8-en-3-one. The sequence of reactions and the types of intermediates in cholesterol biosynthesis may vary. Alternate routes exist because reduction of the carbon 24,25 double bond on the hydrocarbon side chain of the sterol ring structure by sterol delta24-reductase can occur at multiple points in the pathway, giving rise to different intermediates. These intermediates, with or without a double bond in the hydrocarbon side chain, can serve as substrates for the other enzymes in the pathway. [HMDB] 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol is a 3-beta-hydroxysterol that is an intermediate in cholesterol biosynthesis II (via 24,25-dihydrolanosterol). It is a substrate for C-4 methyl sterol oxidase (SC4MOL) and can be generated from the enzymatic oxidation of 4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol. It is also a substrate for NAD(P)-dependent steroid dehydrogenase (H105E3) and can be generated from the enzymatic carboxylation of 4alpha-methyl-5alpha-cholesta-8-en-3-one. The sequence of reactions and the types of intermediates in cholesterol biosynthesis may vary. Alternate routes exist because reduction of the carbon 24,25 double bond on the hydrocarbon side chain of the sterol ring structure by sterol delta24-reductase can occur at multiple points in the pathway, giving rise to different intermediates. These intermediates, with or without a double bond in the hydrocarbon side chain, can serve as substrates for the other enzymes in the pathway.
4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol
4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol is also known as 32-Hydroxy-24,25-dihydrolanosterol or Lanost-8-en-3beta,30-diol. 4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol is considered to be practically insoluble (in water) and basic. 4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol is a sterol lipid molecule
4α-carboxy-4β-methyl-5α-cholesta-8-en-3β-ol
4α-carboxy-4β-methyl-5α-cholesta-8-en-3β-ol is considered to be practically insoluble (in water) and acidic. 4α-carboxy-4β-methyl-5α-cholesta-8-en-3β-ol is a sterol lipid molecule
Ginsenosides
Dammarenediol ii, also known as 3beta-dammar-24-ene-3,20-diol, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Dammarenediol ii is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Dammarenediol ii can be found in a number of food items such as swamp cabbage, oil palm, watercress, and common hazelnut, which makes dammarenediol ii a potential biomarker for the consumption of these food products.
arabidiol
Arabidiol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Arabidiol can be found in a number of food items such as sunburst squash (pattypan squash), asian pear, mentha (mint), and blackcurrant, which makes arabidiol a potential biomarker for the consumption of these food products.
17beta,20beta-Epoxy-23,24-dimethylcholest-5-ene-3beta,22-diol
24-hydroperoxy-24-vinyl-cholesterol|24-hydroperoxy-24-vinylcholesterol|24xi-hydroperoxy-24-vinyl-cholesterol|24xi-hydroperoxy-24-vinylcholesterol
cyclonataminol
C28H48N2O2 (444.37155879999995)
A natural product found in Buxus natalensis.
(24R)-ethylcholesta-4,6-diene-1alpha,3beta,22alpha(22R)-triol|haloxysterol B
(3beta,4alpha,5alpha,8beta)-4-Methyl-3,8-dihydroxyergost-24(28)-en-23-one
(3beta,17(21)E,22S,23S,24S)-23-Methylergosta-5,17=diene-3,22,25-triol
(20??)-form-20, 22-Hopanediol|20alpha,22-dihydroxyhopane
Zeorin
A hopanoid that is hopane substituted by hydroxy groups at positions 6 and 22 (the (6alpha)-stereoisomer). It has been isolated from the fungi Aschersonia and Hypocrella.
24-ethylcholesta-7,22E-diene-3beta,5alpha,6beta-triol
(1alpha,2alpha,3beta)-29-Norlanosta-8,24-diene-1,2,3-triol
22-Ac-(3beta, 20S, 22S)-Cholest-5-ene-3, 22-diol, 9CI
22-Deoxy,26-hydroxy:-23-Methylergosta-5,17(20)-diene-3,22,25-triol
(3??, 5??, 24S)-form-5-Hydroperoxystigmasta-6, 25-dien-3-ol
4alpha-methyl-3beta,14beta-dihydroxy-5alpha-ergost-24(28)-en-23-one
5alpha,8alpha-epidoxy-24alpha-ethylcholest-6-en-3-ol
28-norlup-20(29)-en-3beta-hydroxy-17alpha-hydroperoxide
4alpha-Methyl-24xi-ethyl-5alpha-cholest-7-en-3beta,22xi-diol
Ac-(3beta,5alpha,24xi)-3-Hydroxymethyl-A-norergostane
24-hydroperoxy-4alpha,14alpha-dimethylcholesta-8,25-dien-3beta-ol
24(R)-ethyl-ergosta-5,7-diene-1alpha,3beta,22alpha-triol|recursterol A
(22E)-7alpha-hydroperoxy-3beta-hydroxystigmasta-5,22-diene|(22E,24S)-7alpha-hydroperoxystigmasta-5,22-dien-3beta-ol|(22E,24S)-7??-Hydroperoxystigmasta-5,22-dien-3??-ol
d:a-Friedooleanane-3,29-diol, (3.alpha.,20.alpha.)-
(3beta,21alpha)-7-Onocerene-3,21-diol|onocer-7-ene-3beta,21alpha-diol
20alpha-dimethylamino-3beta-senecioylamino-5alpha-pregnane-2alpha-ol|pachysamine J
C28H48N2O2 (444.37155879999995)
25-hydroperoxy-4alpha,14alpha-dimethylcholesta-8,23-dien-3beta-ol
Dihydromasticadienediol|Tirucall-7-en-3beta,26-diol|tirucall-7-ene-3beta,26-diol
4-hydroxy-3,4-seco-19(10->9)-abeo-8alpha,9beta,10alpha-tirucall-24-en-3,5-oxide|sunpollenol
3-oxo-2-nor-1,3-cyclolup-1alpha,20-diol|dysoxyhainol
(3R,3aR,5bS,8S,10R,10aR)-3-[(2R,5R)-5,6-dimethylheptan-2-yl]hexadecahydro-8,10a-dihydroxy-3a,5b-dimethyl-9-methylidenecyclopenta[a]fluorene-10-carbaldehyde|8beta-hydroxy-B-norconicasta-6alpha-aldehyde
23-Demethyl-(1alpha,3beta,11alpha)-Gorgost-5-ene-1,3,11-triol
(3beta,5alpha,6beta,22R,23R,24R)-23-Norgorgost-7-ene-3,5,6-triol
(8R)-3beta,8-dihydroxypolypoda-13E,17E,21-triene|13, 17, 21-Polypodatriene-3, 8-diol
D:A-Friedo-oleanan-3alpha,21alpha-diol|friedelane-3alpha,21alpha-diol
23xi-ethyl-4alpha,24xi-dimethylcholestan-3beta-ol|4alpha,24xi-dimethyl-23xi-ethylcholestan-3beta-ol
3beta,11-dihydroxy-23-demethyl-9,11-secogorgost-5-en-9-one|leptosterol C
(1R,2S,4R,6S)-4-[(S)-1-hydroxytetradecyl]-6-isopropyl-3-methyl-5H-spiro{bicyclo[2.2.2]oct-[2]-ene-7,2-furan}-5-one|yaoshanenolide A
3beta,4alpha-Dihydroxy-filican|3beta,4alpha-dihydroxyfilicane
28-hydroperoxystigmasta-5-24(28)-dien-3beta-ol|29-hydroperoxystigmasta-5,24(28)-dien-3beta-ol
(20R,22E,24R)-stigmasta-22,25-dien-3beta,6beta,9alpha-triol
(20S)-20-(N,N-dimethylamino)-3beta-tigloylamino-5alpha-pregn-11beta-ol
C28H48N2O2 (444.37155879999995)
5alpha,6alpha-epoxy-24R*-ethylcholest-8-en-3beta,7alpha-diol
(24E)-24-ethyl-5alpha-cholesta-8,24(28)-diene-3beta,12beta,19-triol
3, 3-Dimethoxy-4, 23-dinor-3, 4-seco-5(24)-filicene
10beta-(2-Carboxyaethyl)-5alpha-aethyl-des-A-friedelan|3,4-Seco-friedelan-3-carbonsaeure|3,4-seco-friedelane-3-oic acid|3,4-secofriedelan-3-oic acid|3.4-seco-Friedelan-3-saeure
4,14,2xi,3-tetramethyl-20alphaF-methylamino-(3alpha,4alpha,5alpha)-tetrahydro-9beta,19-cyclo-pregnano[3,4-d][1,3]oxazin-16alpha-ol|Cyclomethoxazin B
C28H48N2O2 (444.37155879999995)
20alpha-dimethylamino-2alpha-hydroxyl- 3beta-tigloylamino-5alpha-pregnane
C28H48N2O2 (444.37155879999995)
2beta-methoxyl-3alpha,9alpha-dihydroxyergosta-7,22-diene
5alpha,6alpha-epoxy-24R*-ethylcholest-8(14)-en-3beta,7alpha-diol
Hopane-3β,22-diol
21-beta-H-hopane-3-beta,22-diol is a triterpene. Hopane-3beta,22-diol is a natural product found in Castanopsis eyrei with data available.
11α-ethyl-1α,25-dihydroxyvitamin D3 / 11α-ethyl-1α,25-dihydroxycholecalciferol
1α,25-dihydroxy-26,27-dimethylvitamin D3 / 1α,25-dihydroxy-26,27-dimethylcholecalciferol
1α,25-dihydroxy-24a,24b-dihomovitamin D3 / 1α,25-dihydroxy-24a,24b-dihomocholecalciferol
(5Z,7E)-(1S,3R,20S)-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol
SCHLEICHERASTATIN 5
Schleichol 1
Constituent of the famine food Schleichera oleosa
3beta-Cycloartane-3,25-diol
3beta-Cycloartane-3,29-diol
11alpha-ethyl-1alpha,25-dihydroxyvitamin D3
1alpha,25-dihydroxy-26,27-dimethylvitamin D3 / 1alpha,25-dihydroxy-26,27-dimethylcholecalciferol
1alpha,25-dihydroxy-24a,24b-dihomovitamin D3 / 1alpha,25-dihydroxy-24a,24b-dihomocholecalciferol
1alpha,25-dihydroxy-24a,24b-dihomo-20-epivitamin D3
2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethanol
(2S,6R)-1,1,4a,6-tetramethyl-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]decalin-2,6-diol
Fruticoside A
A 3beta-hydroxy steroid that is 4-methylergosta-7,24(28)-dien-3-ol substituted by additional hydroxy groups at positions 2 and 21 (the 2alpha,3beta,4alpha,5alpha stereoisomer). It has been isolated from the roots of Breynia fruticosa and exhibits cytotoxic activity against human cancer cell lines.
3-Hydroxy-4,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid
11alpha-ethyl-1alpha,25-dihydroxyvitamin D3/11alpha-ethyl-1alpha,25-dihydroxycholecalciferol
(3beta,9beta)-4alpha-Demethyl-4alpha-methylhydroxy-9,19-cyclolanost-3-ol
(3S,4R,5R,10S,13R,14R,17R)-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid
[3-Carboxy-2-(3-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
3-[(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol
[3-Carboxy-2-(12-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
[3-Carboxy-2-(10-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
[3-Carboxy-2-(9-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
[3-Carboxy-2-(13-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
[3-Carboxy-2-(5-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
[3-Carboxy-2-(7-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
[3-Carboxy-2-(8-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
[3-Carboxy-2-(11-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
[3-Carboxy-2-(6-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
[3-Carboxy-2-(2-hydroxyoctadecanoyloxy)propyl]-trimethylazanium
C25H50NO5+ (444.36887900000005)
Dustanin
A hopanoid that is hopane substituted by hydroxy groups at positions 15 and 22 (the 15alpha-stereoisomer). It has been isolated from Aschersonia species and Hypocrella species.
Globosterol
A 3beta-sterol that is 5alpha-androstane which contains a double bond between positions 7 and 8, in which the hydrogens at the 3beta, 5alpha and 6beta positions are substituted by hydroxy groups, and in which the hydrogen at the 17beta position is substituted by a (2S,3E,6xi)-6,7-dimethyloct-3-en-2-yl group. The polyhydroxylated C29 sterol was isolated from an endophytic fungus, Chaetomium globosum ZY-22; the stereochemistry at position 25 was not determined.
2,5,7,8-Tetramethyl-2-(5,9,13-trimethyltetradecyl)-3,4-dihydrochromen-6-ol
(18Z,21Z,24Z,27Z)-triaconta-18,21,24,27-tetraenoic acid
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid
4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol
4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
3beta-hydroxy-4alpha-methyl-5alpha-cholest-7-ene-4beta-carboxylic acid
(15Z,18Z,21Z,24Z)-triacontatetraenoic acid
A very long-chain omega-6 fatty acid that is triacontanoic acid having four double bonds located at positions 15, 18, 21 and 24 (the 15Z,18Z,21Z,24Z-isomer).
(22E,24R)-ergosta-7,22-diene-6beta-methoxy-3beta,5alpha-diol
An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 5 and a methoxy group at position 6 (the 3beta,5alpha,6beta stereoisomer). It has been isolated from Aspergillus ochraceus.
3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid
A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying carboxy and methyl substituents at position 4.
blazein
An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 5 and a methoxy group at position 6 (the 3beta,5alpha stereoisomer). It has been isolated from the fungus, Xylaria species.
(8R)-3beta,8-dihydroxypolypoda-13E,17E,21-triene
A triterpenoid that is decahydronaphthalene substituted by methyl groups at positions 1, 1, 4a and 6, hydroxy groups at positions 2 and 6 and a (6E,10E)-2,6,10-trimethyltrideca-2,6,10-trien-13-yl group at position 5. Isolated from resinous exudate of Pistacia lentiscus and Commiphora mukul, it exhibits cytotoxicity towards prostrate cancers.
lanost-8-ene-3beta,30-diol
A tetracyclic triterpenoid that is lanost-8-ene carrying two hydroxy substituents at positions 3beta and 30.
WE(30:4)
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