Exact Mass: 804.4282376000001
Exact Mass Matches: 804.4282376000001
Found 84 metabolites which its exact mass value is equals to given mass value 804.4282376000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Okadaic acid
Okadaic acid is found in mollusks. Okadaic acid is found in the marine sponges Halichondria okadai and Halichondria melanodocia and shellfish. It is a metabolite of Prorocentrum lima. It is a diarrhetic shellfish toxin. Okadaic acid is a toxin that accumulates in bivalves and causes diarrhetic shellfish poisoning. The molecular formula of okadaic acid, which is a derivative of a C38 fatty acid, is C44H68O13. The IUPAC name of okadaic acid is (2R)-2-hydroxy-3-{(2S,5R,6R,8S)-5-hydroxy-[(1R,2E)-3-((2R,5R,6S,8R,8aS)-8-hydroxy-6-{(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7-methyleneoctahydro-3H,3H-spiro[furan-2,2-pyrano[3,2-b]pyran]-5-yl)-1-methylprop-2-en-1-yl]-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-methylpropanoic acid. Okadaic acid was named from the marine sponge Halichondria okadai, from which okadaic acid was isolated for the first time. It has also been isolated from another marine sponge, H. malanodocia, as a cytotoxin. The real producer of okadaic acid is a marine dinoflagellate D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators D004791 - Enzyme Inhibitors D007476 - Ionophores
Dinophysistoxin 2
Dinophysistoxin 2 is found in mollusks. Dinophysistoxin 2 is a metabolite of Dinophysis species. Metabolite of Dinophysis subspecies Dinophysistoxin 2 is found in mollusks. D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
25-O-Deacetylrifabutin
PGP(i-12:0/18:1(12Z)-2OH(9,10))
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)
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).
5alpha-pregnanolone bis-O-beta-D-glucosyl-(1->2,1->6)-beta-D-glucoside
okadaic acid
D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators D004791 - Enzyme Inhibitors D007476 - Ionophores A polycyclic ether that is produced by several species of dinoflagellates, and is known to accumulate in both marine sponges and shellfish. A polyketide, polyether derivative of a C38 fatty acid, it is one of the primary causes of diarrhetic shellfish poisoning (DSP). It is a potent inhibitor of specific protein phosphatases and is known to have a variety of negative effects on cells.
Ac-11-[10-(11-Methoxyvincamajinyl)]vincorine
C47H56N4O8 (804.4097936000001)
(20S)-pregn-5-en-3beta,20-diol-3-O-bis-beta-D-glucopyranosyl-(1->2,1->6)-beta-D-glucopyranoside
(24S,25S)-5alpha-spirostane-2alpha,3beta,5,6beta,24-pentol 2,24-di-O-beta-D-glucopyranoside
(3beta,5??,6??)-3-O-[beta-D-Galactopyranosyl-(1鈥樏傗垎2)-beta-D-glucopyranoside], 6-sulfate, Cholesta-8,24-diene-3,6-diol
ent-14-labden-8beta-ol 13alpha-O-[beta-D-quinovopyranosyl-(1->2)-3-O-acetyl-alpha-L-rhamnopyranosyl]-19-O-alpha-L-rhamnopyranoside
Dinophysistoxin 2
A ketal that is a rare marine toxin structurally related to okadaic acid. Found yearly along with okadaic acid in Portuguese shellfish, its presence has been correlated with the occurrence of Dinophysis acta. D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
(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
N-{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl}-26-(indol-3-yl)-23-oxo-4,7,10,13,16,19-hexaoxa-22-azahexacosan-1-amide
C38H56N6O13 (804.3905166000001)
[6-[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2S,3S,6S)-6-[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2S,3S,6S)-6-[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(7E,9E,11E,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
5,7',9',13'-tetramethyl-4,15'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',18',19'-triol
(1's,2r,2's,4s,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r,18'r,19'r)-5,7',9',13'-tetramethyl-4,15'-bis({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',18',19'-triol
3-(acetyloxy)-15-[2-(acetyloxy)-5-[1,2-bis(acetyloxy)-2-methylpropyl]oxolan-3-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-7-yl 3-phenylprop-2-enoate
2-hydroxy-3-(5-hydroxy-8-{4-[8'-hydroxy-6'-(1-hydroxy-3-{3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl}butyl)-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid
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)
3-[17-(dodecan-2-yl)-6,9,12,15,16-pentahydroxy-13-(hydroxymethyl)-10-(1h-indol-3-ylmethyl)-2-oxo-4-phenyl-1-oxa-5,8,11,14-tetraazacycloheptadeca-5,8,11,14-tetraen-7-yl]propanimidic acid
C43H60N6O9 (804.4421550000001)
2-hydroxy-3-{5-hydroxy-8-[(3e)-4-[8'-hydroxy-6'-(1-hydroxy-3-{11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl}butyl)-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-methylpropanoic acid
1-(2,6-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,8-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(2e,10r)-n-[(2r,3r,4r,5r,6s)-2-{[(2s,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(2s)-2-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-5,6-dihydropyrimidin-1-yl)oxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-10-methyldodec-2-enimidic acid
(2s,3r,4r,5s,6s)-2-{[(3s)-5-[(1s,2r,4as,5r,8ar)-2-hydroxy-2,5,8a-trimethyl-5-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-hexahydro-1h-naphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy}-5-hydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl acetate
(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
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
(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r)-2,6-dihydroxy-6-methyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,8-dihydroxy-9a,11a-dimethyl-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,2r,3r,5r,7r,10s,11r,14r,15s)-3-(acetyloxy)-15-[(2s,3r,5s)-2-(acetyloxy)-5-[(1s)-1,2-bis(acetyloxy)-2-methylpropyl]oxolan-3-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-7-yl (2e)-3-phenylprop-2-enoate
(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r)-2,6-dihydroxy-6-methyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,8-dihydroxy-9a,11a-dimethyl-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
1-{5-[({3-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-5-(1,2-dihydroxyethyl)-4-hydroxyoxolan-2-yl}oxy)methyl]-6-methylhept-3-en-2-yl}-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexol
(1r,2r,3s,3as,3bs,5s,5as,6r,7s,9as,9br,11ar)-1-[(2r,3e,5s)-5-({[(2r,3r,4s,5s)-3-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-5-[(1r)-1,2-dihydroxyethyl]-4-hydroxyoxolan-2-yl]oxy}methyl)-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-2,3,3b,5,6,7-hexol
(1s,3as,5as,7r,8r,9ar,9br,11ar)-1-[(2r,3r)-2,6-dihydroxy-6-methyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,8-dihydroxy-9a,11a-dimethyl-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
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
(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
3-[1,7,10,13,16-pentahydroxy-18-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-22-methyl-3-[(4-methylphenyl)methyl]-19-oxo-15-(sec-butyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-12-yl]propanimidic acid
3-hydroxy-6-{[5-(2-hydroxy-2,5,8a-trimethyl-5-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-hexahydro-1h-naphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}-2-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetate
(1s,3as,5ar,7s,8s,9ar,9br,11ar)-1-[(2r,3r)-2,6-dihydroxy-6-methyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,8-dihydroxy-9a,11a-dimethyl-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
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
(4s,5s)-5-[(s)-amino(hydroxy)methyl]-2-[(3-{[(3s)-6-{[(3s)-3-amino-6-{[(4r)-4,6-diamino-2-oxohexyl]amino}-1-hydroxyhexylidene]amino}-1-hydroxy-3-[(1-hydroxyethylidene)amino]hexylidene]amino}-4,5-dihydroxy-6-[(c-hydroxycarbonimidoyloxy)methyl]oxan-2-yl)amino]-4,5-dihydro-3h-imidazole-4-carboxylic acid
3-[(4s,7s,10s,13r)-17-(dodecan-2-yl)-6,9,12,15,16-pentahydroxy-13-(hydroxymethyl)-10-(1h-indol-3-ylmethyl)-2-oxo-4-phenyl-1-oxa-5,8,11,14-tetraazacycloheptadeca-5,8,11,14-tetraen-7-yl]propanimidic acid
C43H60N6O9 (804.4421550000001)
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)