Exact Mass: 958.5547308

Exact Mass Matches: 958.5547308

Found 38 metabolites which its exact mass value is equals to given mass value 958.5547308, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Eliglustat Tartrate

Eliglustat hemitartrate

C50H78N4O14 (958.5514248)


A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AB - Enzymes D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor

   

PGP(i-20:0/PGF1alpha)

[(2S)-3-({[(2R)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-3-[(18-methylnonadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C46H88O16P2 (958.5547308)


PGP(i-20:0/PGF1alpha) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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 diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(i-20:0/PGF1alpha), in particular, consists of one chain of one 18-methylnonadecanoyl at the C-1 position and one chain of Prostaglandin F1alpha at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(PGF1alpha/i-20:0)

[(2S)-3-({[(2R)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-2-[(18-methylnonadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C46H88O16P2 (958.5547308)


PGP(PGF1alpha/i-20:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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 diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(PGF1alpha/i-20:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of 18-methylnonadecanoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

11alpha-Methoxysaikosaponin f

11(alpha)-methoxysaikosaponin F

C49H82O18 (958.5500872)


11(α)-Methoxysaikosaponin F is a triterpenoid saponin isolated from Bupleurum marginatum Wall.ex DC(ZYCH) which is a promising therapeutic for liver fibrosis. 11(α)-Methoxysaikosaponin F has an IC50 of 387.7 nM with viability of hepatic stellate cells-T6 (HSCs-T6). Triterpenoid saponins have numerous targets, important network positions, and strong inhibitory activity[1].

   
   
   
   

(3beta,6alpha,16beta,24R)-16-(acetyloxy)-24-hydroxy-25-(beta-D-xylopyranosyloxy)-9,19-cyclolanostane-3,6-diyl bis(6-deoxy-alpha-L-mannopyranoside)|eremophiloside B

(3beta,6alpha,16beta,24R)-16-(acetyloxy)-24-hydroxy-25-(beta-D-xylopyranosyloxy)-9,19-cyclolanostane-3,6-diyl bis(6-deoxy-alpha-L-mannopyranoside)|eremophiloside B

C49H82O18 (958.5500872)


   

23-hydroxy-3beta-O-[alpha-L-rhamnopyranosyl-(1?2)-beta-L-glucopyranosyl]-15beta-O-(alpha-L-rhamnopyranosyl)poriferast-5-en-16beta-yl acetate|acanthifolioside J

23-hydroxy-3beta-O-[alpha-L-rhamnopyranosyl-(1?2)-beta-L-glucopyranosyl]-15beta-O-(alpha-L-rhamnopyranosyl)poriferast-5-en-16beta-yl acetate|acanthifolioside J

C49H82O18 (958.5500872)


   

3-O-{[beta-d-glucopyranosyl-(1?2)-O]-beta-d-galactopyranoside}-16-O-beta-d-glucopyranosyl-3beta,16beta,23-trihydroxyolean-12-ene

3-O-{[beta-d-glucopyranosyl-(1?2)-O]-beta-d-galactopyranoside}-16-O-beta-d-glucopyranosyl-3beta,16beta,23-trihydroxyolean-12-ene

C49H82O18 (958.5500872)


   
   

PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))

1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1-myo-inositol)

C53H83O13P (958.5570998)


   

PI(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phospho-(1-myo-inositol)

C53H83O13P (958.5570998)


   

PI 44:10

1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phospho-(1-myo-inositol)

C53H83O13P (958.5570998)


   

PIM1 31:0

2-O-(alpha-D-Manp)-(1-heptadecanoyl-2-tetradecanoyl-sn-glycero-3-phospho-1-myo-inositol)

C46H87O18P (958.5629732)


   

calcium bis(dinonylnaphthalenesulphonate)

calcium bis(dinonylnaphthalenesulphonate)

C56H86CaO6S2 (958.5491406000001)


   
   
   
   
   
   
   

[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

C53H83O13P (958.5570998)


   

[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate

[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate

C53H83O13P (958.5570998)


   

[(2S)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

[(2S)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

C53H83O13P (958.5570998)


   

[(2S)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate

[(2S)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate

C53H83O13P (958.5570998)


   

[(2S)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoate

[(2S)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoate

C53H83O13P (958.5570998)


   

[(2S)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

[(2S)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

C53H83O13P (958.5570998)


   

[(2S)-1-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

[(2S)-1-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

C53H83O13P (958.5570998)


   

[(2S)-1-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoate

[(2S)-1-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoate

C53H83O13P (958.5570998)


   

2-O-(alpha-D-Manp)-(1-heptadecanoyl-2-tetradecanoyl-sn-glycero-3-phospho-1-myo-inositol)

2-O-(alpha-D-Manp)-(1-heptadecanoyl-2-tetradecanoyl-sn-glycero-3-phospho-1-myo-inositol)

C46H87O18P (958.5629732)


   
   
   
   
   

PIP(37:1)

PIP(19:1_18:0)

C46H88O16P2 (958.5547308)


Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved

   

3-[(3s,6s,9r,10s,13r,16s,19s,24as)-1,4,11,14,17-pentahydroxy-3,9,13-trimethyl-10-[(2e,4e,6e,8e,10e,12e,14e,16e)-n-methyloctadeca-2,4,6,8,10,12,14,16-octaenamido]-16,19-bis(2-methylpropyl)-7,20-dioxo-3h,6h,9h,10h,13h,16h,19h,22h,23h,24h,24ah-pyrrolo[2,1-i]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-6-yl]propanimidic acid

3-[(3s,6s,9r,10s,13r,16s,19s,24as)-1,4,11,14,17-pentahydroxy-3,9,13-trimethyl-10-[(2e,4e,6e,8e,10e,12e,14e,16e)-n-methyloctadeca-2,4,6,8,10,12,14,16-octaenamido]-16,19-bis(2-methylpropyl)-7,20-dioxo-3h,6h,9h,10h,13h,16h,19h,22h,23h,24h,24ah-pyrrolo[2,1-i]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-6-yl]propanimidic acid

C51H74N8O10 (958.5527624)