Exact Mass: 1111.6429699999999
Exact Mass Matches: 1111.6429699999999
Found 24 metabolites which its exact mass value is equals to given mass value 1111.6429699999999,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Didemnin B
C57H89N7O15 (1111.6416324000002)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic A natural product found particularly in Lyngbya majuscula and Trididemnum solidum. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant C784 - Protein Synthesis Inhibitor D000970 - Antineoplastic Agents Didemnin B is a depsipeptide extracted from the marine tunicate Trididemnin cyanophorum. Didemnin B can be used for the research of cancer[1].
Didemnin
C57H89N7O15 (1111.6416324000002)
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
PGP(a-25:0/LTE4)
C54H99NO16P2S (1111.6159473999999)
PGP(a-25:0/LTE4) 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-25:0/LTE4), in particular, consists of one chain of one 22-methyltetracosanoyl 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 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(LTE4/a-25:0)
C54H99NO16P2S (1111.6159473999999)
PGP(LTE4/a-25:0) 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(LTE4/a-25:0), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of 22-methyltetracosanoyl 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).
Unk-DL-Leu-DL-Glu-DL-xiThr(1)-DL-Val-DL-Leu-DL-Ser-DL-Leu-DL-Ser-DL-Val-(1)
(2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
C57H89N7O15 (1111.6416324000002)
n-{4-[(2s,5s,8r,11r,14s,17r,20s,23r)-8-benzyl-23-[(2r)-butan-2-yl]-5,14-bis[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-20-isopropyl-17-methyl-11-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
C58H85N11O11 (1111.6429699999999)
(4r)-4-{[(2s)-2-{[(3s)-1,3-dihydroxydecylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-4-{[(3s,6r,9s,12r,15s,18r,21r)-5,8,11,14,17,20-hexahydroxy-6,12-bis(hydroxymethyl)-3,18-diisopropyl-22-methyl-9,15-bis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosa-4,7,10,13,16,19-hexaen-21-yl]-c-hydroxycarbonimidoyl}butanoic acid
(2s)-n-[(6s,7s,10s,11s,15s,17r,20r,25as)-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-10-(sec-butyl)-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2s)-1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
C57H89N7O15 (1111.6416324000002)
(2s)-n-[(3s,6s,7s,10r,11r,15s,17r,20s,25ar)-10-[(2s)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2r)-1-[(2s)-2-hydroxypropanoyl]pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
C57H89N7O15 (1111.6416324000002)
n-{4-[8-benzyl-3,6,9,12,15,18,21,24-octahydroxy-20-isopropyl-17-methyl-11-(2-methylpropyl)-5,14,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
C58H85N11O11 (1111.6429699999999)
3-[1,4,7,11,14,17,20-heptahydroxy-3,6,13,19-tetrakis(c-hydroxycarbonimidoylmethyl)-16-[(4-hydroxyphenyl)methyl]-9-(11-methyltridecyl)-23-oxo-3h,6h,9h,10h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-i]1,4,7,10,13,16,19,22-octaazacyclopentacosan-22-yl]propanimidic acid
C52H81N13O14 (1111.6025645999998)
(2r)-n-[(3s,6r,7s,10r,11s,15s,17r,20s,25as)-10-[(2s)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2s)-1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
C57H89N7O15 (1111.6416324000002)
3-[(3r,6s,9s,13s,16r,19r,22s,27ar)-1,4,7,11,14,17,20-heptahydroxy-3,6,13,19-tetrakis(c-hydroxycarbonimidoylmethyl)-16-[(4-hydroxyphenyl)methyl]-9-(11-methyltridecyl)-23-oxo-3h,6h,9h,10h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-i]1,4,7,10,13,16,19,22-octaazacyclopentacosan-22-yl]propanimidic acid
C52H81N13O14 (1111.6025645999998)
n-{4-[8-benzyl-3,6,9,12,15,18,21,24-octahydroxy-14-isopropyl-17-methyl-11-(2-methylpropyl)-5,20,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
C58H85N11O11 (1111.6429699999999)
(4r)-4-{[(2s)-2-{[(3r)-1,3-dihydroxydecylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-4-{[(3s,6r,9s,12r,15s,18r,21r,22r)-5,8,11,14,17,20-hexahydroxy-6,12-bis(hydroxymethyl)-3,18-diisopropyl-22-methyl-9,15-bis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosa-4,7,10,13,16,19-hexaen-21-yl]-c-hydroxycarbonimidoyl}butanoic acid
(2r)-n-[(3s,6r,7s,10r,11s,15s,17r,20s,25as)-10-[(2s)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2s)-1-[(2s)-2-hydroxypropanoyl]pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
C57H89N7O15 (1111.6416324000002)
2-{1-[1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-n-methylformamido}-4-methyl-n-{8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-10-(sec-butyl)-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl}pentanimidic acid
C57H89N7O15 (1111.6416324000002)
{4,16,22-trihydroxy-3,6,12,21-tetraisopropyl-24-[(4-methoxyphenyl)methyl]-2,8,11,14,20,27-hexamethyl-1,7,10,13,19,25,28-heptaoxo-15-(sec-butyl)-3h,6h,9h,12h,15h,18h,21h,24h,27h,30h,31h,32h,33h,33ah-pyrido[1,2-d]1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl}acetic acid
C56H89N9O14 (1111.6528653999999)
n-{4-[(2s,5s,8r,11r,14s,17r,20s,23r)-8-benzyl-23-[(2r)-butan-2-yl]-5,20-bis[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-14-isopropyl-17-methyl-11-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
C58H85N11O11 (1111.6429699999999)