Exact Mass: 452.3865
Exact Mass Matches: 452.3865
Found 299 metabolites which its exact mass value is equals to given mass value 452.3865,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phylloquinol
Phylloquinol, also known as vitamin k1 hydroquinone or phytonadiol, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, phylloquinol is considered to be a quinone lipid molecule. Phylloquinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phylloquinol can be found in a number of food items such as olive, sweet basil, mung bean, and yellow bell pepper, which makes phylloquinol a potential biomarker for the consumption of these food products. Phylloquinol, also known as vitamin K1 hydroquinone or reduced vitamin K1, is a polycyclic aromatic ketone, based on 1,4-naphthoquinone, with 2-methyl and 3-phytyl substituents. Vitamin K is a family of phylloquinones that contain a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Several forms of vitamin K have been identified: vitamin K1 derived from plants, vitamin K2 (menaquinone) from bacteria and synthetic naphthoquinone provitamins, and vitamin K3 (menadione).
5b-Cholestane-3a,7a,12a,25,26-pentol
DG(18:1(11Z)/18:1(11Z)/0:0) is a diglyceride, or a diacylglycerol (DAG). It is a glyceride consisting of two fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Diacylglycerols can have many different combinations of fatty acids attached at both the C-1 and C-2 positions. DG(18:1(11Z)/18:1(11Z)/0:0), in particular, consists of two chains of vaccenic acid at the C-1 and C-2 positions. The vaccenic acid moieties are derived from butter fat and animal fat. Mono- and diacylglycerols are common food additives used to blend together certain ingredients, such as oil and water, which would not otherwise blend well. Dacylglycerols are often found in bakery products, beverages, ice cream, chewing gum, shortening, whipped toppings, margarine, and confections. 5b-Cholestane-3a,7a,12a,25,26-pentol is a bile alcohol. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10\\% of total bile acids. Large amounts of bile alcohols have been found to be excreted into the bile and urine in patients with cerebrotendinous xanthomatosis (CTX), a rare inherited lipid storage disease. (PMID: 11718684).
5beta-cholestan-3alpha,7alpha,12alpha,24(S),27-pentol
5beta-cholestan-3alpha,7alpha,12alpha,24(S),27-pentol, also known as 5β-cholestan-3α,7α,12α,24(S),27-pentol, is classified as a pentahydroxy bile acids, alcohol or a Pentahydroxy bile acids, alcohol derivative. Pentahydroxy bile acids, alcohols are bile acids, alcohols or derivatives bearing five hydroxyl groups. 5beta-cholestan-3alpha,7alpha,12alpha,24(S),27-pentol is considered to be practically insoluble (in water) and relatively neutral
5b-Cholestane-3a,7a,12a,24,25-pentol
5b-Cholestane-3a,7a,12a,24,25-pentol has been found excreted in the urine from a patient with sitosterolemia as glycine- and taurine-conjugated bile acids (PMID 7896564) [HMDB] 5b-Cholestane-3a,7a,12a,24,25-pentol has been found excreted in the urine from a patient with sitosterolemia as glycine- and taurine-conjugated bile acids (PMID 7896564).
5b-Cholestane-3a,7a,12a,23S,25-pentol
5b-Cholestane-3a,7a,12a,23S,25-pentol is a bile alcohol found in the urine of patients with cerebrotendinous xanthomatosis. (PMID 3700361) [HMDB] 5b-Cholestane-3a,7a,12a,23S,25-pentol is a bile alcohol found in the urine of patients with cerebrotendinous xanthomatosis. (PMID 3700361).
5b-Cholestane-3a,7a,12a,23R,25-pentol
5b-Cholestane-3a,7a,12a,23R,25-pentol is a bile alcohol present in the urine of patients with cerebrotendinous xanthomatosis, but not in feces. A possible explanation for the urinary cholestanepentols is that the major serum bile alcohol, 5b-cholestane-3a,7a,12a,25-tetrol, might be hydroxylated at C-23 to form (23)-5b-cholestane-3a,7a,12a,23,25-pentols in the kidneys, an hypothesis supported by the fact that in our patient (23R)-5b-cholestane-3a,7a,12a,23,25-pentol was detected only in urine but were virtually absent in bile. (PMID 3700361). Widespread in plant oils and as glycerides in seed oilsand is also present in apple, apricot, banana, morello cherry, citrus fruits, cheese, butter, white wine, Japanese whiskey, peated malt, wort and scallops. It is used as a defoamer, lubricant and citrus fruit coating. Salts (Na, K, Mg, Ca, Al) used as binders, emulsifiers and anticaking agents in food manuf. Decanoic acid is found in many foods, some of which are radish (variety), meatball, phyllo dough, and american shad.
5a-Cholestane-3a,7a,12a,23,25-pentol
5a-Cholestane-3a,7a,12a,23,25-pentol is a bile acid found in the urine of patients with cerebrotendinous xanthomatosis. (PMID 1805458) [HMDB] 5a-Cholestane-3a,7a,12a,23,25-pentol is a bile acid found in the urine of patients with cerebrotendinous xanthomatosis. (PMID 1805458).
Cholestane-3,7,12,24,25-pentol
Cholestane-3,7,12,24,25-pentol is the major bile alcohol identified in urine from healthy humans, both in children and adults. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10\\% of total bile acids. The excretion of glucuronidated bile alcohols in urine is suggested to reflect an alternative metabolism of intermediates in the normal biosynthesis of bile acids. Patients with the rare inherited sterol storage disease, cerebrotendinous xanthomatosis, accumulation bile alcohols in bile and feces.(PMID: 6726087, 6548247, 11718684) [HMDB] Cholestane-3,7,12,24,25-pentol is the major bile alcohol identified in urine from healthy humans, both in children and adults. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10\\% of total bile acids. The excretion of glucuronidated bile alcohols in urine is suggested to reflect an alternative metabolism of intermediates in the normal biosynthesis of bile acids. Patients with the rare inherited sterol storage disease, cerebrotendinous xanthomatosis, accumulation bile alcohols in bile and feces.(PMID: 6726087, 6548247, 11718684).
2',3'-Dihydro-phytomenadione
Present in hydrogenated vegetable oils and a wide range of foods prepared from them. Readily absorbed by humans from dietary sources. About 15-fold less potent than natural vitamin K1 in chick blood coagulation assay. 2,3-Dihydro-phytomenadione is found in many foods, some of which are soursop, enokitake, date, and agave. 2,3-Dihydro-phytomenadione is found in agave. 2,3-Dihydro-phytomenadione is present in hydrogenated vegetable oils and a wide range of foods prepared from them. Readily absorbed by humans from dietary sources. About 15-fold less potent than natural vitamin K1 in chick blood coagulation assa
5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol
5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol, also known as 5β-cholestane-3α,7α,12α,23,25-pentol, is classified as a pentahydroxy bile acids, alcohol or a Pentahydroxy bile acids, alcohol derivative. Pentahydroxy bile acids, alcohols are bile acids, alcohols or derivatives bearing five hydroxyl groups. 5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol is considered to be practically insoluble (in water) and relatively neutral. 5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol is a bile acid lipid molecule
5alpha-Cyprinol
(8S,9S,10R,13R,14S,17R)-5,6-Dihydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
(20R,24S)-5alpha-cholesta-3beta,6alpha,8,15alpha,24-pentaol|(24S)-5alpha-cholestane-3beta,6alpha,8,15alpha,24-pentol
3-Ketone-3beta-24,25-Dimethyllanosta-9(11),23-dien-3-ol
(1S,4R,5R)-3-hydroxymethyl-4,5-dimethoxycyclohex-2-enyl (3E)-octadec-3-enoate
(22E,24Z)-5alpha-stigmasta-7,22,24(24)-trien-3beta-yl acetate
5alpha-stigmasta-8,14,Z-24(28)-trien-3beta-yl acetate|Vernosterol acetate
3-Oxo-24,24-dimethyl-9,19-cyclolanost-25-en|Cyclobalanon
Stigmasta-5,22,25-trien-3-ol,acetate, (3b,22E,24S)- (9CI)
(3beta, 5alpha, 6beta, 15alpha, 25S)-Cholestane-3, 5, 6, 15, 25-pentol
24-Ethyl-24-methyl-29-nor-5alpha-lanosta-4(28),7,25-trien-3beta-ol
4alpha-Methyl-5alpha-ergosta-8,14,24(241)-trien-3beta-ol acetate|4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-yl acetate
15alpha-hydroxy-24-methylene-7,9(11),24-lanostatrien-3-one|15alpha-hydroxy-24-methylenelanosta-7,9(11)-dien-3-one
(24E)-5alpha-stigmasta-7,9(11),24(24)-trien-3beta-yl acetate
2-hydroxy-24-methylenelanostan-1,8-dien-3-one|klainedoxalanostenone
8(14),15,24(28)-Stigmastatrienylacetat|8(14).15.24(28)-Stigmastatrienylacetat
cornusalterin I
A tirucallane triterpenoid that is (13alpha,14beta,17alpha,20S)-lanosta-7,9(11),24-triene substituted by an oxo group at position 3 and a methoxy group at position 23. It has been isolated from the stem and stem barks of Cornus walteri.
2,5-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2h-naphtho-[1,2-b]pyran-6-ol
Benzamide, N-(20-amino-4,8,12,17-tetraazaeicos-1-yl)-2,5-dihydroxy-
(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,7R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5S,7R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Cholestane-3,7,12,24,25-pentol
5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26-pentol
5alpha-Cholestane-3beta,7alpha,12alpha,25,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,24,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,22,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,24,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,26,27-pentol
5alpha-Cholestane-3alpha,7alpha,12alpha,23,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,22,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,23,26-pentol
[4-(4-propylcyclohexyl)cyclohexyl] 4-(4-propylcyclohexyl)benzoate
(TRANS,TRANS)-4-PROPYL[1,1-BICYCLOHEXYL]-4-CARBOXYLIC ACID-4- (TRANS-4-PROPYLCYCLOHEXYL)PHENYL ESTER
(24S)-5beta-cholestane-3alpha,7alpha,12alpha,24,26-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,24,26-pentol with S-configuration at C-24.
[3-carboxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl]-trimethylazanium
(8S,9S,10R,13R,14S,17R)-5,6-Dihydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol
[3-carboxy-2-[(8E,11E)-icosa-8,11-dienoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[10-(3,4-dimethyl-5-propylfuran-2-yl)decanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[11-(5-ethyl-3,4-dimethylfuran-2-yl)undecanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[7-(5-hexyl-3,4-dimethylfuran-2-yl)heptanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[8-(3,4-dimethyl-5-pentylfuran-2-yl)octanoyloxy]propyl]-trimethylazanium
[2-[9-(5-Butyl-3,4-dimethylfuran-2-yl)nonanoyloxy]-3-carboxypropyl]-trimethylazanium
[3-Carboxy-2-[9-(3-methyl-5-pentylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium
N-hexacosanoylglycinate
An N-acylglycinate that is the conjugate base of N-hexacosanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
5alpha-cholestan-3beta,6alpha,8beta,15alpha,24S-triol
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
[2-(Carboxymethyl)-2-hydroxy-3-oxodocosa-4,6-dienyl]-trimethylazanium
(1-hexanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
[1-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoxy]propan-2-yl] hexanoate
[1-[(13Z,16Z)-docosa-13,16-dienoxy]-3-hydroxypropan-2-yl] propanoate
(1-hydroxy-3-nonoxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
(1-hydroxy-3-octoxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
[1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-2-yl] heptanoate
[1-[(9Z,12Z)-hexadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] nonanoate
[1-[(11Z,14Z)-henicosa-11,14-dienoxy]-3-hydroxypropan-2-yl] butanoate
[1-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoxy]propan-2-yl] pentanoate
[1-[(9Z,12Z)-heptadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] octanoate
(1-hydroxy-3-octanoyloxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
(1-hydroxy-3-pentanoyloxypropan-2-yl) (9Z,12Z)-nonadeca-9,12-dienoate
(1-butanoyloxy-3-hydroxypropan-2-yl) (11Z,14Z)-icosa-11,14-dienoate
(1-heptanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (11Z,14Z)-henicosa-11,14-dienoate
(1-acetyloxy-3-hydroxypropan-2-yl) (13Z,16Z)-docosa-13,16-dienoate
(25S)-5alpha-cholestan-3beta,6beta,15alpha,16beta,26-pentol
(1s,3r,8r,11s,12s,15r,16r)-15-[(2r,5e)-5-isopropylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
1-(5-ethyl-5,6-dimethylhept-6-en-2-yl)-3a,9a,11a-trimethyl-6-methylidene-1h,2h,3h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(1s,3r,8r,11s,12s,15r,16r)-15-[(2r,5r)-5-ethyl-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-4-hydroxybenzamide
3a,6,6,9a,11a-pentamethyl-1-(5,5,6-trimethylhept-6-en-2-yl)-1h,2h,3h,3bh,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one
1-(7-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-3,5,5a,7-tetrol
(1r,3as,3br,7s,9ar,9bs,11ar)-1-[(2r,3e,5s)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
3-oxo-oleans-12-en-28-oic acid
{"Ingredient_id": "HBIN009433","Ingredient_name": "3-oxo-oleans-12-en-28-oic acid","Alias": "NA","Ingredient_formula": "C31H48O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25396","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α-cyprinol
{"Ingredient_id": "HBIN011415","Ingredient_name": "5\u03b1-cyprinol","Alias": "NA","Ingredient_formula": "C27H48O5","Ingredient_Smile": "CC(CCCC(CO)CO)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4581","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5 beta-bufol sufate
{"Ingredient_id": "HBIN011461","Ingredient_name": "5 beta-bufol sufate","Alias": "NA","Ingredient_formula": "C27H48O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30686","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5β-bufol sulfate
{"Ingredient_id": "HBIN011462","Ingredient_name": "5\u03b2-bufol sulfate","Alias": "NA","Ingredient_formula": "C27H48O5","Ingredient_Smile": "CC(CCCC(C)(CO)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2720","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
