Exact Mass: 804.4282376000001

Exact Mass Matches: 804.4282376000001

Found 19 metabolites which its exact mass value is equals to given mass value 804.4282376000001, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

25-O-Deacetylrifabutin

2,13,15,17,32-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4-piperidine]-1(32),2,4,9,19,21,24,26,30-nonaene-6,23-dione

C44H60N4O10 (804.430922)


   

PGP(i-12:0/18:1(12Z)-2OH(9,10))

[(2S)-3-({[(2R)-2-{[(9S,10S,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C36H70O15P2 (804.418973)


PGP(i-12:0/18:1(12Z)-2OH(9,10)) 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-12:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of 9,10-hydroxy-octadecenoyl 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(18:1(12Z)-2OH(9,10)/i-12:0)

[(2S)-3-({[(2R)-3-{[(9R,10R,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-2-[(10-methylundecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C36H70O15P2 (804.418973)


PGP(18:1(12Z)-2OH(9,10)/i-12:0) 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(18:1(12Z)-2OH(9,10)/i-12:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of 10-methylundecanoyl 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).

   
   
   

25-O-Deacetylrifabutin

25-O-Deacetyl Rifabutin

C44H60N4O10 (804.430922)


   

(9Z,19Z,21Z)-2,13,15,17,32-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4-piperidine]-6,23-dione

(9Z,19Z,21Z)-2,13,15,17,32-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4-piperidine]-6,23-dione

C44H60N4O10 (804.430922)


   

PGP(i-12:0/18:1(12Z)-2OH(9,10))

PGP(i-12:0/18:1(12Z)-2OH(9,10))

C36H70O15P2 (804.418973)


   

PGP(18:1(12Z)-2OH(9,10)/i-12:0)

PGP(18:1(12Z)-2OH(9,10)/i-12:0)

C36H70O15P2 (804.418973)


   

n-{3-[(6s,9s,12s,15s,18s,23as)-12,18-dibenzyl-6-[(2s)-butan-2-yl]-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-19-oxo-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-15-yl]propyl}guanidine

n-{3-[(6s,9s,12s,15s,18s,23as)-12,18-dibenzyl-6-[(2s)-butan-2-yl]-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-19-oxo-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-15-yl]propyl}guanidine

C40H56N10O8 (804.4282376000001)


   

(2r)-1-[(2s)-2-amino-3-phenylpropanoyl]-n-[(2s)-1-[(2s)-2-{[(1s)-1-{[(1s)-1-(c-hydroxycarbonimidoyl)-3-methylbutyl]-c-hydroxycarbonimidoyl}-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboximidic acid

(2r)-1-[(2s)-2-amino-3-phenylpropanoyl]-n-[(2s)-1-[(2s)-2-{[(1s)-1-{[(1s)-1-(c-hydroxycarbonimidoyl)-3-methylbutyl]-c-hydroxycarbonimidoyl}-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboximidic acid

C45H56N8O6 (804.4322596)


   

6-[(2s,4r,5s,6s,8r)-8-[(2s,3r,4r,5s,7r,9s,10s,12r,15r)-2-[(2r,4r,5s)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2-hydroxy-3-methylbenzoic acid

6-[(2s,4r,5s,6s,8r)-8-[(2s,3r,4r,5s,7r,9s,10s,12r,15r)-2-[(2r,4r,5s)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2-hydroxy-3-methylbenzoic acid

C43H64O14 (804.4295844)


   

1-(2-amino-3-phenylpropanoyl)-n-(1-{2-[(1-{[1-(c-hydroxycarbonimidoyl)-3-methylbutyl]-c-hydroxycarbonimidoyl}-2-(1h-indol-3-yl)ethyl)-c-hydroxycarbonimidoyl]pyrrolidin-1-yl}-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboximidic acid

1-(2-amino-3-phenylpropanoyl)-n-(1-{2-[(1-{[1-(c-hydroxycarbonimidoyl)-3-methylbutyl]-c-hydroxycarbonimidoyl}-2-(1h-indol-3-yl)ethyl)-c-hydroxycarbonimidoyl]pyrrolidin-1-yl}-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboximidic acid

C45H56N8O6 (804.4322596)


   

(2r,3s)-2-{[(2s)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy}-n-[(1s)-1-{[(1s)-2-(4-hydroxyphenyl)-1-{[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl](methyl)carbamoyl}ethyl](methyl)carbamoyl}-2-methylpropyl]-3-methylpentanimidic acid

(2r,3s)-2-{[(2s)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy}-n-[(1s)-1-{[(1s)-2-(4-hydroxyphenyl)-1-{[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl](methyl)carbamoyl}ethyl](methyl)carbamoyl}-2-methylpropyl]-3-methylpentanimidic acid

C44H60N4O10 (804.430922)


   

6-[(4r,6s)-8-[(3r,9s,10s,12r)-2-[(4r)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2-hydroxy-3-methylbenzoic acid

6-[(4r,6s)-8-[(3r,9s,10s,12r)-2-[(4r)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2-hydroxy-3-methylbenzoic acid

C43H64O14 (804.4295844)


   

n-{3-[12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-19-oxo-6-(sec-butyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-15-yl]propyl}guanidine

n-{3-[12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-19-oxo-6-(sec-butyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-15-yl]propyl}guanidine

C40H56N10O8 (804.4282376000001)


   

2-{[2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy}-n-(1-{[2-(4-hydroxyphenyl)-1-{[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl](methyl)carbamoyl}ethyl](methyl)carbamoyl}-2-methylpropyl)-3-methylpentanimidic acid

2-{[2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy}-n-(1-{[2-(4-hydroxyphenyl)-1-{[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl](methyl)carbamoyl}ethyl](methyl)carbamoyl}-2-methylpropyl)-3-methylpentanimidic acid

C44H60N4O10 (804.430922)