Exact Mass: 825.3969058

Exact Mass Matches: 825.3969058

Found 29 metabolites which its exact mass value is equals to given mass value 825.3969058, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

PS(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI)

(2S)-2-amino-3-({[(2R)-2-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid

C42H68NO13P (825.4428048)


PS(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI) is an oxidized phosphatidylserine (PS). Oxidized phosphatidylserines are glycerophospholipids in which a phosphorylserine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylserines 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, phosphatidylserines 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. PS(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI), in particular, consists of one chain of one 6Z,9Z,12Z,15Z-octadecatetraenoyl at the C-1 position and one chain of 5-iso Prostaglandin F2alpha-VI 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 PSs can be synthesized via three different routes. In one route, the oxidized PS is synthetized de novo following the same mechanisms as for PSs 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 PS backbone, mainly through the action of LOX (PMID: 33329396).

   

PS(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z))

(2S)-2-amino-3-({[(2R)-3-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid

C42H68NO13P (825.4428048)


PS(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z)) is an oxidized phosphatidylserine (PS). Oxidized phosphatidylserines are glycerophospholipids in which a phosphorylserine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylserines 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, phosphatidylserines 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. PS(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z)), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI at the C-1 position and one chain of 6Z,9Z,12Z,15Z-octadecatetraenoyl 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 PSs can be synthesized via three different routes. In one route, the oxidized PS is synthetized de novo following the same mechanisms as for PSs 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 PS backbone, mainly through the action of LOX (PMID: 33329396).

   
   
   
   
   
   
   

Eribulin mesylate

Eribulin mesylate

C41H63NO14S (825.3969058)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent

   

Deacetoxyvinzolidine

Deacetoxyvinzolidine

C46H56ClN5O7 (825.3868055999999)


D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids

   

PS(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI)

PS(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI)

C42H68NO13P (825.4428048)


   

PS(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z))

PS(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z))

C42H68NO13P (825.4428048)


   

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetradeca-4,8-dien-2-yl]hexanamide

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetradeca-4,8-dien-2-yl]hexanamide

C38H67NO18 (825.4357921999999)


   

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]butanamide

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]butanamide

C38H67NO18 (825.4357921999999)


   

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadeca-4,8-dien-2-yl]acetamide

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadeca-4,8-dien-2-yl]acetamide

C38H67NO18 (825.4357921999999)


   

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyheptadeca-4,8-dien-2-yl]propanamide

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyheptadeca-4,8-dien-2-yl]propanamide

C38H67NO18 (825.4357921999999)


   

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxypentadeca-4,8-dien-2-yl]pentanamide

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxypentadeca-4,8-dien-2-yl]pentanamide

C38H67NO18 (825.4357921999999)


   

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytrideca-4,8-dien-2-yl]heptanamide

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytrideca-4,8-dien-2-yl]heptanamide

C38H67NO18 (825.4357921999999)


   

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxydodeca-4,8-dien-2-yl]octanamide

N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxydodeca-4,8-dien-2-yl]octanamide

C38H67NO18 (825.4357921999999)


   

GPLGIAGQ (TFA)

GPLGIAGQ (TFA)

C33H54F3N9O12 (825.384384)


GPLGIAGQ TFA, a MMP2-cleavable polypeptide, is used as a stimulus-sensitive linker in both liposomal and micellar nanocarriers for MMP2-triggered tumor targeting. GPLGIAGQ TFA can be used to synthesis unique MMP2-targeted photosensitizer in photodynamic therapy (PDT)[1][2][3].

   

3-({1-[(1-{[({1-[(1-carboxy-2-phenylethyl)-c-hydroxycarbonimidoyl]ethyl}-c-hydroxycarbonimidoyl)methyl]-c-hydroxycarbonimidoyl}-2-hydroxy-3-methylbutyl)-c-hydroxycarbonimidoyl]ethyl}-c-hydroxycarbonimidoyl)-3-({1-hydroxy-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutylidene}amino)propanoic acid

3-({1-[(1-{[({1-[(1-carboxy-2-phenylethyl)-c-hydroxycarbonimidoyl]ethyl}-c-hydroxycarbonimidoyl)methyl]-c-hydroxycarbonimidoyl}-2-hydroxy-3-methylbutyl)-c-hydroxycarbonimidoyl]ethyl}-c-hydroxycarbonimidoyl)-3-({1-hydroxy-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutylidene}amino)propanoic acid

C40H55N7O12 (825.390851)


   

(3r)-3-{[(1s)-1-{[(1r,2s)-1-[({[(1r)-1-{[(1s)-1-carboxy-2-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-hydroxy-3-methylbutyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}-3-{[(2s)-1-hydroxy-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutylidene]amino}propanoic acid

(3r)-3-{[(1s)-1-{[(1r,2s)-1-[({[(1r)-1-{[(1s)-1-carboxy-2-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-hydroxy-3-methylbutyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}-3-{[(2s)-1-hydroxy-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutylidene]amino}propanoic acid

C40H55N7O12 (825.390851)


   

4-amino-8-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-3-hydroxy-n-[5,8,11-trihydroxy-6-(c-hydroxycarbonimidoylmethyl)-3,9-bis[3-(n-hydroxyformamido)propyl]-2-oxo-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-12-yl]octanimidic acid

4-amino-8-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-3-hydroxy-n-[5,8,11-trihydroxy-6-(c-hydroxycarbonimidoylmethyl)-3,9-bis[3-(n-hydroxyformamido)propyl]-2-oxo-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-12-yl]octanimidic acid

C34H51N9O15 (825.3504456)


   

(3s,4s)-4-amino-8-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-3-hydroxy-n-[(3s,6r,9s,12r)-5,8,11-trihydroxy-6-(c-hydroxycarbonimidoylmethyl)-3,9-bis[3-(n-hydroxyformamido)propyl]-2-oxo-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-12-yl]octanimidic acid

(3s,4s)-4-amino-8-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-3-hydroxy-n-[(3s,6r,9s,12r)-5,8,11-trihydroxy-6-(c-hydroxycarbonimidoylmethyl)-3,9-bis[3-(n-hydroxyformamido)propyl]-2-oxo-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-12-yl]octanimidic acid

C34H51N9O15 (825.3504456)


   

3-phenyl-2-({[2,5,11,14-tetrahydroxy-7-methyl-8-oxo-3,9-bis(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)propanoic acid

3-phenyl-2-({[2,5,11,14-tetrahydroxy-7-methyl-8-oxo-3,9-bis(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)propanoic acid

C45H59N7O8 (825.4424894000001)


   

methyl (1s,2r,4r)-4-{[(2s,4s,5r,6s)-4-(dimethylamino)-5-{[(2s,5s,6r)-5-{[(2s,5s,6r)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1s,2r,4r)-4-{[(2s,4s,5r,6s)-4-(dimethylamino)-5-{[(2s,5s,6r)-5-{[(2s,5s,6r)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

C43H55NO15 (825.3571519999999)


   

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2s,11s)-11-(acetyloxy)-4-hydroxy-9-[(2s)-2-methylbutanoyl]-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2s)-2-methylbutanoate

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2s,11s)-11-(acetyloxy)-4-hydroxy-9-[(2s)-2-methylbutanoyl]-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2s)-2-methylbutanoate

C40H63N3O15 (825.4258968)


   

(2s)-2-({[(3s,9s,12s,15r)-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-7-methyl-8-oxo-3,9-bis(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid

(2s)-2-({[(3s,9s,12s,15r)-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-7-methyl-8-oxo-3,9-bis(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid

C45H59N7O8 (825.4424894000001)


   

methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-{[(2s,5s,6s)-5-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-{[(2s,5s,6s)-5-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

C43H55NO15 (825.3571519999999)