Exact Mass: 450.3709
Exact Mass Matches: 450.3709
Found 268 metabolites which its exact mass value is equals to given mass value 450.3709,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Vitamin K
D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins Widely distributed in green leaves and vegetables, especies cabbage and spinach. Infant formula fortifier. Phytomenadione is found in many foods, some of which are swiss chard, fruit salad, milk (cow), and common buckwheat. Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism. Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism.
Coprocholic acid
Coprocholic acid, also called 3α,7α,12α-Trihydroxy-5β-cholestan-26-oic acid, is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine, and the portal vein to form an enterohepatic circuit. They exist as anions at physiological pH, and consequently require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.
6-Deoxocastasterone
6-Deoxocastasterone belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols, and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups. Thus, 6-deoxocastasterone is considered to be a sterol lipid molecule. 6-Deoxocastasterone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 6-Deoxocastasterone is found in common bean and has been isolated from Phaseolus vulgaris (kidney bean). Isolated from Phaseolus vulgaris (kidney bean). 6-Deoxocastasterone is found in many foods, some of which are jerusalem artichoke, alaska blueberry, sourdough, and yautia.
Vitamin K1
Phylloquinone is a member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. It has a role as a cofactor, a plant metabolite and a human metabolite. It is a vitamin K and a member of phylloquinones. Vitamin K1, also called phylloquinone or phytonadione, is a fat soluble vitamin. Phylloquinone is a cofactor of the enzyme γ-carboxylase, which modifies and activates precursors to coagulation factors II, VII, IX, and X. It is indicated in the treatment of coagulation disorders due to faulty formation of coagulation factors II, VII, IX, and X caused by deficiency or interference in the activity of vitamin K. Phylloquinone has been synthesized since at least 1939, and was approved by the FDA prior to 1955. Vitamin K1 is a natural product found in Coffea arabica, Stachys annua, and other organisms with data available. Phytonadione is an analogue of the naphthoquinone vitamin K found in plants. The vitamins K are essential for blood coagulation as it is necessary for the hepatic synthesis of the coagulation factors II, VII, IX, and X; deficiency results in a bleeding diathesis. These vitamins are lipo-soluble; absorption via intestinal lymphatics requires the presence of bile salts. (NCI04) Phylloquinone is often called vitamin K1. It is a fat-soluble vitamin that is stable to air and moisture but decomposes in sunlight. It is found naturally in a wide variety of green plants. Phylloquinone is also an antidote for coumatetralyl. Vitamin K is needed for the posttranslational modification of certain proteins, mostly required for blood coagulation. A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity. See also: Broccoli (part of); Kale, cooked (part of); Cholecalciferol; phytonadione (component of) ... View More ... Vitamin K1, also known as phylloquinone or phytonadione, 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). Vitamin K1 has only one double bond on the proximal isoprene unit. Vitamin K1 possesses the same type and degree of activity as does naturally-occurring vitamin K, which is necessary for the production via the liver of active prothrombin (factor II), proconvertin (factor VII), plasma thromboplastin component (factor IX), and Stuart factor (factor X). Rich sources of vitamin K1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity. Vitamin K1 is a fat-soluble vitamin that is stable to air and moisture but decomposes in sunlight. Vitamin K1 is an antidote for coumatetralyl. A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics > B02BA - Vitamin k D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism. Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism.
3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestane-24-one
This compound belongs to the family of Tetrahydroxy Bile Acids, Alcohols and Derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.
3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al
3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al is also known as 3α,7α,12α,24(S)-tetrahydroxy-5β-cholestan-27-al. 3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al is considered to be practically insoluble (in water) and relatively neutral
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate is also known as 3a,7a,12a-Trihydroxy-5b-cholestan-26-Oic acid or 3α,7α,12α-trihydroxy-5β-cholestanoate(1-). 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate is considered to be practically insoluble (in water) and acidic
Trihydroxycholestanoic acid
28-Norcastasterone
28-norcastasterone belongs to tetrahydroxy bile acids, alcohols and derivatives class of compounds. Those are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups. 28-norcastasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 28-norcastasterone can be found in a number of food items such as corn, tea, turnip, and broad bean, which makes 28-norcastasterone a potential biomarker for the consumption of these food products.
3-epi-6-Deoxocastasterone
3-epi-6-deoxocastasterone belongs to tetrahydroxy bile acids, alcohols and derivatives class of compounds. Those are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups. 3-epi-6-deoxocastasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-epi-6-deoxocastasterone can be found in common bean, green bean, and yellow wax bean, which makes 3-epi-6-deoxocastasterone a potential biomarker for the consumption of these food products.
N,N-(Hexane-1,6-diyl)bis(N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide)
(1R,1R,2S,2S,4aR,4aR,6R,6S,8aS,8aS)-1,1-(ethane-1,2-diyl)bis[decahydro-5,5,8a-trimethylnaphthalene-2,6-diol]|(3beta,8beta,14alpha,21beta)-26,27-dinoronocerane-3,8,14,21-tetrol
(24S)-24-methylcholestane-3beta,5alpha,6beta,7beta-tetrol|(24S)-ergostane-3beta,5alpha,6beta,7beta-tetrol|(3beta,5alpha,6beta,7beta,24S)-Ergostane-3,5,6,7-tetrol|5alpha-ergostane-3beta,5,6beta,7beta-tetrol
(24S)-24-methyl-5alpha-cholestane-1beta,3beta,5,6beta-tetrol|(24S)-24-methylcholestane-1beta,3beta,5alpha,6beta-tetrol|(24S)-ergostane-1beta,3beta,5alpha,6beta-tetraol
3beta,5alpha,6beta,11-tetrahydroxy-9,11-secocholest-7-en-9-one|aplidiasterol B
25-Desoxy-7,8-dihydroecdyson, Cheilanthon B|Cheilanthon-B|Cheilanthone B
24beta-Ethylcholesta-5,7,9(11),22E-tetraen-3beta-ol acetate
(23E)-25-hydroperoxycholest-23-ene-3beta,5alpha,6beta-triol
(20S*)-3beta,6alpha,11,20-tetrahydroxy-9,11-seco-5alpha-cholest-7-en-9-one|3beta,6alpha-trihydroxy-9,11-seco-5alpha-cholest-7-en-9-one|subergorgol B
20-(N-methylamino)-3beta-(N-methylbenzamido)-5alpha-pregnane|hookerianamide I
Vitamin K1
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.858 Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism. Vitamin K1 a naturally occurring vitamin required for blood coagulation and bone and vascular metabolism.
(2R,3R,6R)-6-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid
(2R,3S,6R)-6-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid
(3R,5S,7R,9S,10S,12S,13R,17R)-17-((2R)-4-(3-(hydroxymethyl)oxetan-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(2S,6R)-2-methyl-6-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
(2S,3S)-6-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid
3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid
A steroid acid that is 5beta-cholestan-26-oic acid which is substituted by hydroxy groups as the 3alpha, 7alpha, and 12alpha positions.
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid
(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-27-al
3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid
3alpha,12alpha,22-Trihydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oic acid
3beta,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid
(25R)-3alpha,7alpha,12alpha-trihydroxy-5alpha-cholestan-26-oic acid
(25S)-3alpha,7alpha,12alpha-trihydroxy-5alpha-cholestan-26-oic acid
(25R)-3alpha,7alpha,24-trihydroxy-5alpha-cholestan-26-oic acid
3alpha,7alpha,24-trihydroxy-5alpha-cholestan-26-oic acid
(25R)-1beta,3alpha,7alpha-trihydroxy-5beta-cholestan-26-oic acid
3alpha,7beta,12alpha-Trihydroxy-5beta-cholestan-26-oic acid
3alpha,12alpha,22S-Trihydroxy-5β-cholestan-26-oic acid
3alpha,12alpha,24R-Trihydroxy-5β-cholestan-26-oic acid
3alpha,7alpha,15alpha-Trihydroxy-5beta-cholestan-26-oic acid
3alpha,7alpha,16alpha-Trihydroxy-5beta-cholestan-26-oic acid
[2,5-bis(3,7-dimethyloctoxy)-4-(hydroxymethyl)phenyl]methanol
hookerianamide I
A steroid alkaloid that is 5alpha-pregnane substituted by a N-methylamino group at position 20 and a beta-N-methylbenzamido group at position 3. Isolated from Sarcococca hookeriana, it exhibits antiplasmodial activity and inhibitory activity against cholinesterase.
(24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-al
3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-al with S-configuration at C-24.
2-(dihydroxymethyl)-6-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyheptanoic acid
[3-carboxy-2-[(8E,11E,14E)-icosa-8,11,14-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E,11E)-icosa-5,8,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(11Z,14E,17E)-icosa-11,14,17-trienoyl]oxypropyl]-trimethylazanium
2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol
A natural product found in Coscinoderma species.
[3-carboxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl]-trimethylazanium
(3S,8S,9S,10R,11R,13S,14S,16S,17R)-17-[(2S,3R,6R)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,16-triol
(3R,5S,7R,9S,10S,12S,13R,17R)-17-((2R)-4-(3-(hydroxymethyl)oxetan-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(2R,3S,6R)-6-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid
(2R,3R,6R)-6-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid
dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium
[3-carboxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl]-trimethylazanium
[1-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoxy]propan-2-yl] pentanoate
(1-hydroxy-3-nonoxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[1-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]-3-hydroxypropan-2-yl] nonanoate
[1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propan-2-yl] heptanoate
[1-[(10Z,13Z,16Z)-docosa-10,13,16-trienoxy]-3-hydroxypropan-2-yl] propanoate
(1-hydroxy-3-octanoyloxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
(2S,3S)-6-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid
2-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxyacetic acid
(1-butanoyloxy-3-hydroxypropan-2-yl) (11Z,14Z,17Z)-icosa-11,14,17-trienoate
(1-hexanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(1-acetyloxy-3-hydroxypropan-2-yl) (10Z,13Z,16Z)-docosa-10,13,16-trienoate
3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-al
3alpha,12alpha,22S-Trihydroxy-5beta-cholestan-26-oic acid
3alpha,12alpha,24R-Trihydroxy-5beta-cholestan-26-oic acid
2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione
(1r,3as,3bs,5as,7s,8r,9ar,9bs,11ar)-1-[(2s,3r,4r)-3,4-dihydroxy-6-methylheptan-2-yl]-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one
4,4a,6-trihydroxy-2-[2-(2-hydroxyethyl)-2-methyl-3-(6-methylheptan-2-yl)cyclopentyl]-8a-methyl-5,6,7,8-tetrahydro-4h-naphthalen-1-one
(4as,6s)-5-{2-[(6r)-2,6-dihydroxy-5,5,8a-trimethyl-octahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-octahydronaphthalene-2,6-diol
(1r,3as,3bs,4r,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-4,5,5a,7-tetrol
n-{9a,11a-dimethyl-1-[1-(methylamino)ethyl]-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl}-n-methylbenzamide
(1r,3as,3bs,5r,5ar,7s,9ar,9bs,10r,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,10-tetrol
(6r,7e,16z,28z)-hentriaconta-7,16,28-trien-2,4,30-triyne-1,6-diol
(1r,5s,7r,10s,11s,14s,15r,16r,18r,23s)-n,n,10,14,16-pentamethyl-19-(propan-2-ylidene)-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]tetracos-2-en-7-amine
(4e,6s,7s,8e,10s,11s,12e,14s,15r,16s,18s)-7,11,15-trihydroxy-4,6,8,10,12,14,16,18-octamethylicosa-4,8,12-trien-3-one
(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,5s)-6-hydroxy-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7-triol
(1r,3r,3as,3br,5s,5as,7s,9ar,9bs,11ar)-1-[(2r,3e)-7-hydroxy-5-methylhept-3-en-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,6,7-tetrol
(1s,3as,3br,5as,7s,9as,9bs,11as)-n-benzyl-1-[(1s)-1-(dimethylamino)ethyl]-n,9a,11a-trimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-amine
(3β,8β, 14α, 21α)-26, 27-dinoronocerane-3, 8, 14, 21-tetrol
{"Ingredient_id": "HBIN008119","Ingredient_name": "(3\u03b2,8\u03b2, 14\u03b1, 21\u03b1)-26, 27-dinoronocerane-3, 8, 14, 21-tetrol","Alias": "NA","Ingredient_formula": "C28H50O4","Ingredient_Smile": "CC1(C2CCC(C(C2(CCC1O)C)CCC3C(CCC4C3(CCC(C4(C)C)O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3β,8β,14α,21β)-26,27-dinoronocerane-3,8,14,21-tetrol
{"Ingredient_id": "HBIN008120","Ingredient_name": "(3\u03b2,8\u03b2,14\u03b1,21\u03b2)-26,27-dinoronocerane-3,8,14,21-tetrol","Alias": "NA","Ingredient_formula": "C28H50O4","Ingredient_Smile": "CC1(C2CCC(C(C2(CCC1O)C)CCC3C(CCC4C3(CCC(C4(C)C)O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42515","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
