Exact Mass: 444.2888966

Exact Mass Matches: 444.2888966

Found 500 metabolites which its exact mass value is equals to given mass value 444.2888966, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

sn-3-O-(geranylgeranyl)glycerol 1-phosphate

(2S)-2-hydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yloxy]propyl phosphate

C23H41O6P (444.26406160000005)

Fusaproliferin

Fusaproliferin; (-)-Fusaproliferin

C27H40O5 (444.28755900000004)

Menatetrenone

2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1,4-dihydronaphthalene-1,4-dione

C31H40O2 (444.302814)

Menatetrenone, also known as MK-4, is a vitamin K compound used as a hemostatic agent, and also as adjunctive therapy for the pain of osteoporosis. Menatetrenone is one of the nine forms of vitamin K2 and is a short-chain menaquinone. MK-4 is produced via conversion of vitamin K1 in the body, in the testes, pancreas and arterial walls (Wikipedia). Vitamin K2 is found in brassicas. Vitamin K2 is widely distributed in green leaves and vegetables. It is a fat-soluble dietary factor effective in controlling blood coagulation. All members of the vitamin K group of vitamins share a methylated naphthoquinone ring structure and vary in the aliphatic side chain attached at the 3-position. Phylloquinone (also known as vitamin K1) invariably contains in its side chain four isoprenoid residues, one of which is unsaturated. Human milk contains between 1 and 4 micrograms/litre of vitamin K1, while formula-derived milk can contain up to 100 micrograms/litre in supplemented formulas. Vitamin K2 concentrations in human milk appear to be much lower than those of vitamin K1. It is estimated that there is a 0.25 to 1.7 percent occurrence of vitamin K deficiency bleeding in the first week of the infants life with a prevalence of 2-10 cases per 100,000 births. The biochemistry of how vitamin K is used to convert glutamic acid (Glu) to gamma-carboxyglutamic acid (Gla) has been elucidated over the past thirty years in academic laboratories throughout the world. Within the cell, vitamin K undergoes electron reduction to a reduced form of vitamin K (called vitamin K hydroquinone) by the enzyme vitamin K epoxide reductase (or VKOR). Another enzyme then oxidizes vitamin K hydroquinone to allow carboxylation of Glu to Gla; this enzyme is called the gamma-glutamyl carboxylase or the vitamin K-dependent carboxylase. The carboxylation reaction will only proceed if the carboxylase enzyme is able to oxidize vitamin K hydroquinone to vitamin K epoxide at the same time. The carboxylation and epoxidation reactions are said to be coupled reactions. Vitamin K epoxide is then re-converted into vitamin K by the vitamin K epoxide reductase. These two enzymes comprise the so-called vitamin K cycle. Vitamin K2 is one of the reasons why vitamin K is rarely deficient in a human diet (vitamin K is continually recycled in our cells). Vitamin K1 is also known as phylloquinone or phytomenadione (also called phytonadione). Vitamin K2 (menaquinone, menatetrenone) is normally produced by bacteria in the large intestine, and dietary deficiency is extremely rare unless the intestines are heavily damaged or are unable to absorb the molecule, or due to decreased production by normal flora, as seen in broad spectrum antibiotic use. Menaquinone-4 is a menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. It has a role as a bone density conservation agent, a human metabolite, an antioxidant, an anti-inflammatory agent and a neuroprotective agent. Menatetrenone has been used in trials studying the treatment of Diabetes, Osteoporosis, Prediabetic State, and Hepatocellular Carcinoma. Menatetrenone is a menaquinone compound and form of vitamin K2 with potential antineoplastic activity. Menatetrenone may act by modulating the signalling of certain tyrosine kinases, thereby affecting several transcription factors including c-myc and c-fos. This agent inhibits tumor cell growth by inducing apoptosis and cell cycle arrest. M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization Inhibits bone resorption via PGE2 synthesis inhibition and other mechanisms. Antihaemorrhagic vitamin [CCD] A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics Menaquinone-4 is a vitamin K, used as a hemostatic agent, and also a adjunctive therapy for the pain of osteoporosis.

1,25-Dihydroxyvitamin D3-26,23-lactone

(3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one

C27H40O5 (444.28755900000004)

1,25-Dihydroxyvitamin D3-26,23-lactone (1,25(OH)2D3-26,23-lactone) is a vitamin D3 metabolite. The formation of 1,25(OH)2D3-26,23-lactone occurs in normocalcemic states and in situations in which 1,25(OH)2D3 has been administered. (PMID: 6324253). 1,25-dihydroxyvitamin D3 and (23S)-1,23,25-trihydroxyvitamin D3 are efficient precursors to 1,25(OH)2D3-26,23-lactone. 1,25(OH)2D3-26,23-lactone has an inhibitory action of bone resorption and the lactone ring plays a major part in its expression. (PMID: 6548386, 1666030). 1,25-Dihydroxyvitamin D3-26,23-lactone (1,25(OH)2D3-26,23-lactone) is a vitamin D3 metabolite. The formation of 1,25(OH)2D3-26,23-lactone occurs in normocalcemic states and in situations in which 1,25(OH)2D3 has been administered. (PMID: 6324253) D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols

Stearyl citrate

2-hydroxy-2-[2-(octadecyloxy)-2-oxoethyl]butanedioic acid

C24H44O7 (444.3086874)

Stearyl citrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

2-Stearyl citrate

3-hydroxy-3-[(octadecyloxy)carbonyl]pentanedioic acid

C24H44O7 (444.3086874)

Antioxidant, sequestrant and emulsifier for use in margarine. Plasticiser for food contact packaging. Antioxidant, sequestrant and emulsifier for use in margarine. Plasticiser for food contact packaging

17-hydroxyprogesterone caproate

14-acetyl-14-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-3-yl hexanoate

C27H40O5 (444.28755900000004)

Calcitriol lactone

5-(2-{4-[2-(3,5-dihydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-hexahydro-1H-inden-1-yl}propyl)-3-hydroxy-3-methyloxolan-2-one

C27H40O5 (444.28755900000004)

Proliferin

2-{2,13-dihydroxy-3a,6,10,14-tetramethyl-3-oxo-3H,3ah,4H,7H,8H,11H,12H,13H,16H,16ah-cyclopenta[15]annulen-1-yl}propyl acetic acid

C27H40O5 (444.28755900000004)

vitamin K2

2-methyl-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)-1,4-dihydronaphthalene-1,4-dione

C31H40O2 (444.302814)

[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoate

[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoic acid

C24H44O7 (444.3086874)

MG(6 keto-PGF1alpha/0:0/0:0)

(2S)-2,3-Dihydroxypropyl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoic acid

C23H40O8 (444.272304)

MG(6 keto-PGF1alpha/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).

MG(TXB2/0:0/0:0)

(2S)-2,3-Dihydroxypropyl (5Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoic acid

C23H40O8 (444.272304)

MG(TXB2/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).

MG(0:0/6 keto-PGF1alpha/0:0)

1,3-dihydroxypropan-2-yl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoate

C23H40O8 (444.272304)

MG(0:0/6 keto-PGF1alpha/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).

MG(0:0/TXB2/0:0)

1,3-Dihydroxypropan-2-yl (5Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoic acid

C23H40O8 (444.272304)

MG(0:0/TXB2/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).

The 12-epimer of scalarin, a metabolite of marine sponges of the genus Spongia.

3-Acetylsesterstatin

C27H40O5 (444.28755900000004)

Asparacosin A

(25R)-3-dioxo-spirost-5-en-12beta,17alpha-diol

C27H40O5 (444.28755900000004)

Foetidinol

C27H40O5 (444.28755900000004)

Spirosta-5,25(27)-diene-1beta,3beta,11alpha-triol

C27H40O5 (444.28755900000004)

Thorectandrol B

C27H40O5 (444.28755900000004)

S-15183b

C27H40O5 (444.28755900000004)

Triophaxanthin

C31H40O2 (444.302814)

SCHEMBL12713580

C23H41O6P (444.26406160000005)

Sesterstatin 7

C27H40O5 (444.28755900000004)

Thorectandrol C

C27H40O5 (444.28755900000004)

Zeraconine

C30H40N2O (444.314047)

12beta-Acetoxy-20-hydroxy-17-scalaren-19,20-olide

C27H40O5 (444.28755900000004)

(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopentacyclo[11.8.0.0<2,10>.0<4,9 >.0<14,19>]henicos-17-yl acetate

C27H40O5 (444.28755900000004)

relative retention time with respect to 9-anthracene Carboxylic Acid is 1.480 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.475 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.479 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.476

Chinensin I

C27H40O5 (444.28755900000004)

3-acetylsesterstatin 1

C27H40O5 (444.28755900000004)

15-Dehydro-14beta-anosmagenin

C27H40O5 (444.28755900000004)

Kammogenin

(25R)-2alpha,3beta-dihydroxy-spirost-5-en-12-one

C27H40O5 (444.28755900000004)

12-amino-6,9-di-sec-butyl-15-methoxy-4,7,10-triaza-bicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione

C24H36N4O4 (444.2736416)

12-O-acetyl-16-O-deacetyl-12,16-episcalarolbutenolide|12alpha-acetoxy-16beta-hydroxyscalarolbutenolide

C27H40O5 (444.28755900000004)

Difurocumenone

C30H36O3 (444.26643060000004)

C27H40O5

C27H40O5 (444.28755900000004)

3beta.27-Dihydroxy-25betaFH-cholesten-(5)-trion-(12.16.22)|3beta.27-dihydroxy-25betaFH-cholestene-(5)-trione-(12.16.22)

C27H40O5 (444.28755900000004)

Apoastacenal

C30H36O3 (444.26643060000004)

Lowegenin

C27H40O5 (444.28755900000004)

Afurigenin

C27H40O5 (444.28755900000004)

geranyl-1-O-alpha-L-arabinofuranosyl-(1->6)-beta-D-glucopyranoside

C23H40O8 (444.272304)

12-deacetoxy-23-acetoxy-19-O-acetylscalarin|12-deacetoxy-23-acetoxyscalarin

C27H40O5 (444.28755900000004)

(25R)-2alpha,3beta-Dihydroxy-5alpha-spirost-9(11)-en-12-on|(25R)-2alpha,3beta-dihydroxy-5alpha-spirost-9(11)-en-12-one|(25R)-2alpha,3beta-dihydroxy-5alpha-spirost-9-en-12-one|9(11)-Dehydromanogenin|9-dehydromanogenin

(25R)-2alpha,3beta-Dihydroxy-5alpha-spirost-9(11)-en-12-on|(25R)-2alpha,3beta-dihydroxy-5alpha-spirost-9(11)-en-12-one|(25R)-2alpha,3beta-dihydroxy-5alpha-spirost-9-en-12-one|9(11)-Dehydromanogenin|9-dehydromanogenin

C27H40O5 (444.28755900000004)

Amphidinolide K

C27H40O5 (444.28755900000004)

6-keto-deoxoscalarin

C27H40O5 (444.28755900000004)

(25S)-17alpha,25-dihydroxyspirost-4-en-3-one|diosbulbisin B

C27H40O5 (444.28755900000004)

12-epideoxoscalarin-3-one

C27H40O5 (444.28755900000004)

inorolide C

C27H40O5 (444.28755900000004)

Sansevierigenin

C27H40O5 (444.28755900000004)

Delta25(27)-Manogenin

C27H40O5 (444.28755900000004)

(+)-adociacetylene B

C30H36O3 (444.26643060000004)

24-O-ethylmanoalide

C27H40O5 (444.28755900000004)

(6R)-3,5-dihydroxy-4-<<(1S,2R,5R)-2-hydroxy-2-methyl-5-(1-methylethenyl)cyclopentyl>methyl>-6-methyl-2-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one|(6R)-3,5-dihydroxy-4-{[(1S,2R,5R)-2-hydroxy-2-methyl-5-(1-methylethenyl)cyclopentyl]methyl}-6-methyl-2-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

(6R*)-3,5-dihydroxy-4-<<(1S*,2R*,5R*)-2-hydroxy-2-methyl-5-(1-methylethenyl)cyclopentyl>methyl>-6-methyl-2-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one|(6R*)-3,5-dihydroxy-4-{[(1S*,2R*,5R*)-2-hydroxy-2-methyl-5-(1-methylethenyl)cyclopentyl]methyl}-6-methyl-2-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

C27H40O5 (444.28755900000004)