Exact Mass: 854.3783401999999
Exact Mass Matches: 854.3783401999999
Found 60 metabolites which its exact mass value is equals to given mass value 854.3783401999999,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine
Pisumoside A
Pisumoside A is found in common pea. Pisumoside A is a constituent of Pisum sativum (pea).
PGP(a-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C39H68O16P2 (854.3982388000001)
PGP(a-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(a-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of Lipoxin A5 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-13:0)
C39H68O16P2 (854.3982388000001)
PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-13:0) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-13:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 10-methyldodecanoyl 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(i-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C39H68O16P2 (854.3982388000001)
PGP(i-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of Lipoxin A5 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-13:0)
C39H68O16P2 (854.3982388000001)
PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-13:0) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-13:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 11-methyldodecanoyl 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).
Decatromicin B
C45H56Cl2N2O10 (854.3311816000001)
A carbohydrate-containing antibiotic isolated from Actinomadura sp. MK73-NF4. It specifically inhibits the growth of gram-positive bacteria including multi-drug resistant strains such as Staphylococcus aureus MS9610 and menthicilin-resistant S.aureus (MRSA).
(18R)-18-O-beta-D-glucopyranosyl-(1-3)-[beta-D-glucopyranosyl-(1-2)]-beta-D-glucopyranoside of allo-murolic acid
8beta-Hydroxy-15-oxo-uzarigenin-3beta-O-(3-O-acetyl-beta-D-digitoxosido-beta-D-xylosido-alpha-L-rhamnosid)|8beta-Hydroxy-15-oxo-uzarigenin-3beta-O-<3-O-acetyl-beta-D-digitoxosido-beta-D-xylosido-alpha-L-rhamnosid>
(18R)-18-O-beta-D-glucopyranosyl-(1-2)-[beta-D-glucopyranosyl-(1-6)]-beta-D-glucopyranoside of allo-murolic acid
Dutomycin
An anthracycline antibiotic of formula C44H54O17 isolated from Streptomyces species. It directly binds to the human serine protease inhibitor B6 (SERPINB6), inducing autophagy and apoptosis.
3beta-[O4-(O4(?)-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-alpha-L-rhamnopyranosyloxy]-14-hydroxy-14beta-bufa-4,20,22-trienolid|3beta-[O4-(O4(?)-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-alpha-L-rhamnopyranosyloxy]-14-hydroxy-14beta-bufa-4,20,22-trienolide|glucoscillaren A
(18R)-18-O-beta-D-glucopyranosyl-(1-3)-[beta-D-glucopyranosyl-(1-6)]-beta-D-glucopyranoside of murolic acid
(18S)-18-O-beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranoside of protoconstipatic acid
5-[(3S,8R,10R,13R,14S,17R)-3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Pisumoside A
5,10,15,20-Tetrakis(3,5-Dimethoxyphenyl)-21H,23H-Porphine
PGP(a-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C39H68O16P2 (854.3982388000001)
PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-13:0)
C39H68O16P2 (854.3982388000001)
PGP(i-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C39H68O16P2 (854.3982388000001)
PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-13:0)
C39H68O16P2 (854.3982388000001)
(3S,4S,4aS,6aR,8E,11E,12aS,15S,16aS,20aR,20bR)-15,20a-diethyl-21-hydroxy-3,11,12a-trimethyl-18,20-dioxo-4-[(2,4,6-trideoxy-4-{[(3,5-dichloro-1H-pyrrol-2-yl)carbonyl]amino}-beta-D-ribo-hexopyranosyl)oxy]-1,2,3,4,4a,6a,7,10,12a,15,16,20,20a,20b-tetradecahydro-16a,19-(metheno)benzo[b]naphtho[2,1-j]oxacyclotetradecine-14(18H)-carboxylic acid
C45H56Cl2N2O10 (854.3311816000001)
[2-[5-[2,2-Dimethyl-7-(2-methylbut-3-en-2-yl)-5-(2-methylbut-3-en-2-yloxy)-8-oxopyrano[3,2-g]chromen-10-yl]oxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-8-oxopyrano[3,2-g]chromen-7-yl]-2-methylbut-3-enyl] hydrogen sulate
C48H54O12S (854.3335804000001)
[2-[10-[2,2-Dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxopyrano[3,2-g]chromen-5-yl]oxy-2,2-dimethyl-5-(2-methylbut-3-en-2-yloxy)-8-oxopyrano[3,2-g]chromen-7-yl]-2-methylbut-3-enyl] hydrogen sulate
C48H54O12S (854.3335804000001)
5-[(3S,8R,10R,13R,14S,17R)-3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
[(2S,3S,6S)-6-[3-[(7E,9E,11E,13E,15E,17E,19E)-docosa-7,9,11,13,15,17,19-heptaenoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C47H66O12S (854.4274756000001)
(S)-ferriheme a
C49H58FeN4O6 (854.3705517999999)
A ferriheme a in which the 1-hydroxy group has S-configuration.
Ferriheme a
C49H58FeN4O6 (854.3705517999999)
A ferriheme in which the 1-hydroxy group has S-configuration.
17-{[5-(3,5-dichloro-1h-pyrrole-2-amido)-4-hydroxy-6-methyloxan-2-yl]oxy}-3,22-diethyl-23-hydroxy-6,8,18-trimethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-4,7,10,14,23-pentaene-4-carboxylic acid
C45H56Cl2N2O10 (854.3311816000001)
6-{[3a,3b-dihydroxy-9a,11a-dimethyl-3-oxo-1-(5-oxo-2h-furan-3-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2-methyloxan-4-yl acetate
(1s,3s,6s,7e,10e,13r,16s,17s,18s,21r,22r)-17-{[(2r,4r,5s,6r)-5-(3,5-dichloro-1h-pyrrole-2-amido)-4-hydroxy-6-methyloxan-2-yl]oxy}-3,22-diethyl-27-hydroxy-6,8,18-trimethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-4,7,10,14,24(27)-pentaene-4-carboxylic acid
C45H56Cl2N2O10 (854.3311816000001)
(1s,3'r,4'r)-5'-{[(2s,3r,4s,5r)-6-{[(2e,4e,6e)-deca-2,4,6-trienoyloxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-3',5,7-trihydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e,12e)-7-hydroxyhexadeca-2,4,8,10,12-pentaenoate
(1s,3s,6s,7e,10e,13r,16s,17s,18s,21r,22r)-17-{[(2r,4s,5s,6r)-5-(3,5-dichloro-1h-pyrrole-2-amido)-4-hydroxy-6-methyloxan-2-yl]oxy}-3,22-diethyl-23-hydroxy-6,8,18-trimethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-4,7,10,14,23-pentaene-4-carboxylic acid
C45H56Cl2N2O10 (854.3311816000001)
17-{[5-(3,5-dichloro-1h-pyrrole-2-amido)-4-hydroxy-6-methyloxan-2-yl]oxy}-3,22-diethyl-27-hydroxy-6,8,18-trimethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-4,7,10,14,24(27)-pentaene-4-carboxylic acid
C45H56Cl2N2O10 (854.3311816000001)
6-[(6-{[(1s,4ar,12ar)-3-acetyl-4a,6,12a-trihydroxy-9-methoxy-11-methyl-2,4,5,7,10-pentaoxo-3,12-dihydro-1h-tetracen-1-yl]oxy}-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl (2z)-2,4-dimethylhept-2-enoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (1s,2r,3s,4s,5r,9s,10s,14s)-2,3,13-trihydroxy-5,9-dimethyl-14-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(2r,3r,4s,6r)-6-{[(1r,3ar,3bs,5as,7s,9as,9br,11ar)-3a,3b-dihydroxy-9a,11a-dimethyl-3-oxo-1-(5-oxo-2h-furan-3-yl)-dodecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-methyloxan-4-yl acetate
(1s,3'r,4'r,5'r,6'r)-5'-{[(2s,3r,4s,5r)-6-{[(2e,4e,6e)-deca-2,4,6-trienoyloxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-3',5,7-trihydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e,12e)-7-hydroxyhexadeca-2,4,8,10,12-pentaenoate
6-({6-[(3-acetyl-4,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-2,5,7,10-tetraoxo-1,12-dihydrotetracen-1-yl)oxy]-2-methyloxan-3-yl}oxy)-4-hydroxy-2,4-dimethyloxan-3-yl 2,4-dimethylhept-2-enoate
(2s,3r,4r,6s)-6-{[(2r,3s,6s)-6-{[(1s,4as,12ar)-3-acetyl-4,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-2,5,7,10-tetraoxo-1,12-dihydrotetracen-1-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl (2z,4r)-2,4-dimethylhept-2-enoate
6-({6-[(3-acetyl-4a,6,12a-trihydroxy-9-methoxy-11-methyl-2,4,5,7,10-pentaoxo-3,12-dihydro-1h-tetracen-1-yl)oxy]-2-methyloxan-3-yl}oxy)-4-hydroxy-2,4-dimethyloxan-3-yl 2,4-dimethylhept-2-enoate
(2s,3s)-2-[(14r)-14-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}pentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
(2s,3s)-2-[(14r)-14-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]pentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (1s,2r,3s,4s,5r,9s,10s,13s,14r)-2,3,13-trihydroxy-5,9-dimethyl-14-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
5-[(1r,3as,3br,7s,9ar,9bs,11ar)-7-{[(2r,3r,4s,5r,6s)-5-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
(2s,3r)-2-[(14s)-14-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]pentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
(1s,3s,6s,7e,10e,13r,16s,17s,18s,21r,22r)-17-{[(2r,4r,5s,6r)-5-(3,5-dichloro-1h-pyrrole-2-amido)-4-hydroxy-6-methyloxan-2-yl]oxy}-3,22-diethyl-23-hydroxy-6,8,18-trimethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-4,7,10,14,23-pentaene-4-carboxylic acid
C45H56Cl2N2O10 (854.3311816000001)