Exact Mass: 886.5078304

Exact Mass Matches: 886.5078304

Found 23 metabolites which its exact mass value is equals to given mass value 886.5078304, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

   

Avermectin A1a

6-(butan-2-yl)-24-hydroxy-12-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-21-methoxy-5,11,13,22-tetramethyl-5,6-dihydro-3,7,19-trioxaspiro[pyran-2,6-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10,14,16,22-tetraen-2-one

C49H74O14 (886.5078304)


   

Avemectin B1

6-(butan-2-yl)-22,25-dihydroxy-12-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,11,13,23-tetramethyl-5,6-dihydro-3,7,19-trioxaspiro[pyran-2,6-tetracyclo[15.7.1.1^{4,8}.0^{21,25}]hexacosane]-10,14,16,23-tetraen-2-one

C49H74O14 (886.5078304)


   

PC(14:1(9Z)/LTE4)

(2-{[(2R)-2-{[(2R)-2-amino-3-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}propanoyl]oxy}-3-[(9Z)-tetradec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

C45H79N2O11PS (886.5141914000001)


PC(14:1(9Z)/LTE4) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(14:1(9Z)/LTE4), in particular, consists of one chain of one 9Z-tetradecenoyl at the C-1 position and one chain of Leukotriene E4 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   

PC(LTE4/14:1(9Z))

(2-{[(2R)-3-{[(2R)-2-amino-3-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}propanoyl]oxy}-2-[(9Z)-tetradec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

C45H79N2O11PS (886.5141914000001)


PC(LTE4/14:1(9Z)) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(LTE4/14:1(9Z)), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of 9Z-tetradecenoyl 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   

1,2-Bis-O-(12(R*),13(S*)-dihydroxyicosa-5(Z),8(Z),10(E),14(Z),17(Z)-pentaenoyl)-3-O-beta-D-galactopyranosyl glycerol.|1,2-Bis-O-<12(R*),13(S*)-dihydroxyicosa-5(Z),8(Z),10(E),14(Z),17(Z)-pentaenoyl>-3-O-beta-D-galactopyranosyl glycerol.

1,2-Bis-O-(12(R*),13(S*)-dihydroxyicosa-5(Z),8(Z),10(E),14(Z),17(Z)-pentaenoyl)-3-O-beta-D-galactopyranosyl glycerol.|1,2-Bis-O-<12(R*),13(S*)-dihydroxyicosa-5(Z),8(Z),10(E),14(Z),17(Z)-pentaenoyl>-3-O-beta-D-galactopyranosyl glycerol.

C49H74O14 (886.5078304)


   
   

rel-(2aE,4E,5?S,6S,6?R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-7-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5?,6,8,19-tetramethyl-6?-[(2S)-pentan-2-yl]-5?,6,6?,7,10,11,14,15,17a,20,20a,20b-dodecahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2?-pyran]-17-one|rel-avermectin B1c

rel-(2aE,4E,5?S,6S,6?R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-7-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5?,6,8,19-tetramethyl-6?-[(2S)-pentan-2-yl]-5?,6,6?,7,10,11,14,15,17a,20,20a,20b-dodecahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2?-pyran]-17-one|rel-avermectin B1c

C49H74O14 (886.5078304)


   

TG 53:19;O3

1,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-2-(8-hydroxy-13E-octadecen-9,11-diynoyl)-sn-glycerol

C56H70O9 (886.5019570000001)


   

(2S,3S,5S)-5-tert-Butyloxycarbonylamino-2-amino-3-hydroxy-1,6-diphenylhexane succinate

(2S,3S,5S)-5-tert-Butyloxycarbonylamino-2-amino-3-hydroxy-1,6-diphenylhexane succinate

C50H70N4O10 (886.509168)


   
   

(1R,2R,3S,4S,6S,8R,10E,12S,13S,14E,16E,20R,21R,24S)-2-butan-2-yl-24-hydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21-methoxy-3,11,13,22-tetramethylspiro[2,3-dihydropyran-6,6-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2-one

(1R,2R,3S,4S,6S,8R,10E,12S,13S,14E,16E,20R,21R,24S)-2-butan-2-yl-24-hydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21-methoxy-3,11,13,22-tetramethylspiro[2,3-dihydropyran-6,6-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2-one

C49H74O14 (886.5078304)


   

(10E,14E,16E)-2-butan-2-yl-24-hydroxy-12-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-21-methoxy-3,11,13,22-tetramethylspiro[2,3-dihydropyran-6,6-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2-one

(10E,14E,16E)-2-butan-2-yl-24-hydroxy-12-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-21-methoxy-3,11,13,22-tetramethylspiro[2,3-dihydropyran-6,6-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2-one

C49H74O14 (886.5078304)


   
   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C49H75O12P (886.499588)


   

[1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C49H75O12P (886.499588)


   

2-[(hydroxymethylidene)amino]-3-methyl-n-{3,5,15,18-tetrahydroxy-10-isopropyl-17-[(4-methoxyphenyl)methyl]-9,13-dimethyl-7-(2-methylpropyl)-8,11,21-trioxo-20-(sec-butyl)-1h,2h,3h,4h,4ah,7h,10h,13h,14h,17h,20h-pyridazino[3,2-i]1-oxa-4,7,10,13,16-pentaazacyclononadecan-14-yl}pentanimidic acid

2-[(hydroxymethylidene)amino]-3-methyl-n-{3,5,15,18-tetrahydroxy-10-isopropyl-17-[(4-methoxyphenyl)methyl]-9,13-dimethyl-7-(2-methylpropyl)-8,11,21-trioxo-20-(sec-butyl)-1h,2h,3h,4h,4ah,7h,10h,13h,14h,17h,20h-pyridazino[3,2-i]1-oxa-4,7,10,13,16-pentaazacyclononadecan-14-yl}pentanimidic acid

C44H70N8O11 (886.516379)


   

(2s)-1-{[(5z,8z,10e,12r,13s,14z,17z)-12,13-dihydroxyicosa-5,8,10,14,17-pentaenoyl]oxy}-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (5z,8z,10e,12r,13s,14z,17z)-12,13-dihydroxyicosa-5,8,10,14,17-pentaenoate

(2s)-1-{[(5z,8z,10e,12r,13s,14z,17z)-12,13-dihydroxyicosa-5,8,10,14,17-pentaenoyl]oxy}-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (5z,8z,10e,12r,13s,14z,17z)-12,13-dihydroxyicosa-5,8,10,14,17-pentaenoate

C49H74O14 (886.5078304)


   

(2s,3r)-n-[(3s,4as,7s,10s,13r,14s,17r,20r)-20-[(2s)-butan-2-yl]-3,5,15,18-tetrahydroxy-10-isopropyl-17-[(4-methoxyphenyl)methyl]-9,13-dimethyl-7-(2-methylpropyl)-8,11,21-trioxo-1h,2h,3h,4h,4ah,7h,10h,13h,14h,17h,20h-pyridazino[3,2-i]1-oxa-4,7,10,13,16-pentaazacyclononadecan-14-yl]-2-[(hydroxymethylidene)amino]-3-methylpentanimidic acid

(2s,3r)-n-[(3s,4as,7s,10s,13r,14s,17r,20r)-20-[(2s)-butan-2-yl]-3,5,15,18-tetrahydroxy-10-isopropyl-17-[(4-methoxyphenyl)methyl]-9,13-dimethyl-7-(2-methylpropyl)-8,11,21-trioxo-1h,2h,3h,4h,4ah,7h,10h,13h,14h,17h,20h-pyridazino[3,2-i]1-oxa-4,7,10,13,16-pentaazacyclononadecan-14-yl]-2-[(hydroxymethylidene)amino]-3-methylpentanimidic acid

C44H70N8O11 (886.516379)


   

(1'r,2s,4's,5s,6r,8'r,10'e,12's,13's,14'e,16'e,20'r,21'r,24's)-6-[(2s)-butan-2-yl]-24'-hydroxy-12'-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-21'-methoxy-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one

(1'r,2s,4's,5s,6r,8'r,10'e,12's,13's,14'e,16'e,20'r,21'r,24's)-6-[(2s)-butan-2-yl]-24'-hydroxy-12'-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-21'-methoxy-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one

C49H74O14 (886.5078304)


   

2-{[(10e)-12,13-dihydroxyicosa-5,8,10,14,17-pentaenoyl]oxy}-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 12,13-dihydroxyicosa-5,8,10,14,17-pentaenoate

2-{[(10e)-12,13-dihydroxyicosa-5,8,10,14,17-pentaenoyl]oxy}-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 12,13-dihydroxyicosa-5,8,10,14,17-pentaenoate

C49H74O14 (886.5078304)