Exact Mass: 532.2613456

Exact Mass Matches: 532.2613456

Found 500 metabolites which its exact mass value is equals to given mass value 532.2613456, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Roridin A

(1R,3R,8R,12S,13R,17R,18E,20Z,24R,25S,26R)-12-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2-oxirane]-11,22-dione

C29H40O9 (532.2672190000001)

CONFIDENCE isolated standard D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

calactin

Pecilocerin B

C29H40O9 (532.2672190000001)

Calotropin

Pecilocerin A

C29H40O9 (532.2672190000001)

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides

PA(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

[(2R)-3-(acetyloxy)-2-{[(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437216)

PA(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Leukotriene B4 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0)

[(2R)-2-(acetyloxy)-3-{[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437216)

PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0), in particular, consists of one chain of one Leukotriene B4 at the C-1 position and one chain of acetyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

PA(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

[(2R)-3-(acetyloxy)-2-{[(5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437216)

PA(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 5(S),15(S)-Dihydroxyeicosatetraenoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0)

[(2R)-2-(acetyloxy)-3-{[(5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437216)

PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0), in particular, consists of one chain of one 5(S),15(S)-Dihydroxyeicosatetraenoyl at the C-1 position and one chain of acetyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0)

[(2R)-2-(acetyloxy)-3-{[(5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437216)

PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0), in particular, consists of one chain of one 5,6-Dihydroxyeicosatetraenoyl at the C-1 position and one chain of acetyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

8-O-Tigloylingol

C29H40O9 (532.2672190000001)

Miotoxin D

[3xi,4S,7R(R)]-7-Deoxo-2-deoxy-4-hydroxy-7-(1-hydroxyethyl)verrucarin A

C29H40O9 (532.2672190000001)

Trichoverrin A

[4beta(2Z,4E,6S,7S),15(E)]-4-(6,7-Dihydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate) 12,13-epoxy-trichothec-9-ene-4,15-diol

C29H40O9 (532.2672190000001)

Zizyvoside I

C25H40O12 (532.251964)

berkelic acid

C29H40O9 (532.2672190000001)

Trichoverrin B

[4beta(2Z,4E,6S,7R),15(E)]- 12,13-Epoxytrichothec-9-ene-4,15-diol 4-(6,7-dihydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate)

C29H40O9 (532.2672190000001)

3-O-(2,6-Dideoxy-beta-D-xylo-hexopyranoside)-3,5,14-Trihydroxy-19-oxocarda-6,20(22)-dienolide

C29H40O9 (532.2672190000001)

bistratamide F

C25H36N6O5S (532.2467766)

A homodetic cyclic peptide that consists of L-threonine and L-valine and L-serine as the amino acid residues cyclised via amide bonds. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line

calcicolin A|rel-10betaH-trans-12-(2-methylbut-2(E)-enoyl)-1beta-isobutanoyl-6alpha,13-dihydroxyclerodan-4(20),8(18)-diene-7,15-dione 15,16-oxide

C29H40O9 (532.2672190000001)

3,12-O-diacetyl-7-O-tigloylingol

C29H40O9 (532.2672190000001)

kadnanolactone I

C29H40O9 (532.2672190000001)

(9R)-2beta,9-dihydroxymegastigma-4,7-dien-3-one 9-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside

C25H40O12 (532.251964)

A cardenolide glycoside that is carda-4,20(22)-dienolide substituted by hydroxy groups at positions 2 and 14, an oxo group at position 12 and a (4-deoxy-3-O-methyl-alpha-L-erythro-pentopyranosyl)oxy moiety at position 3 (the 2alpha,3beta stereoisomer). Isolated from from wood of Elaeodendron tangenala, it exhibits antiproliferative activity against A2780 human ovarian cancer cells. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides

chabamide H

C31H36N2O6 (532.2573236000001)

C29H40O9

C29H40O9 (532.2672190000001)

(6S,7R,Ra)-3-phenylacrylic acid 2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c]cycloocten-1-yl ester|neglschisandrin A

C32H36O7 (532.2460906)

Isomorellinol

C32H36O7 (532.2460906)

elaeodendroside S

C29H40O9 (532.2672190000001)

Ajugalactone

C29H40O9 (532.2672190000001)

gofruside

C29H40O9 (532.2672190000001)

Humistratin

C29H40O9 (532.2672190000001)

chabamide I

C31H36N2O6 (532.2573236000001)

3-didehydroafroside

C29H40O9 (532.2672190000001)

(6R,9R)-3-oxo-alpha-ionol-9-O-beta-D-glucopyranosyl(1->2)-beta-D-glucopyranoside

C25H40O12 (532.251964)

C25H40O12

C25H40O12 (532.251964)

aspergillide C|aspergillipeptide C

C26H36N4O8 (532.2533016)

balgacyclamide A

C25H36N6O5S (532.2467766)

klymollin K

C26H41ClO9 (532.2438966000001)

C36H36O4

C36H36O4 (532.2613456)

1-[2-(Dimethylamino)-1-oxo-3-phenylpropyl]-2,3,3alpha,13alpha,14,15,16,18alpha-octahydro-8-methoxy-5,9-metheno-9H-dipyrrolo[3,2-b:1,2-e][1,5,8]oxadiazacyclopentadecine-13,18(1H,12H)-dione

C30H36N4O5 (532.2685566)

16-Dehydro-strophanthidin-beta-D-digitoxosid

C29H40O9 (532.2672190000001)

(20xi)-12beta-acetoxy-3beta,20-dihydroxy-7,11,15-trioxo-25,26,27-trisnorlanost-8-en-24-oic acid|20-hydroxylucidenic acid E2

C29H40O9 (532.2672190000001)

2,7-Dihydroxy-2,8-dimethyl-4-vinyl-11-(2,8-dimethyl-7-hydroxy-9,10-dihydrophenanthrene-3-yl)-1,4-ethano-1,2,3,4,9,10-hexahydrophenanthrene-3-one

C36H36O4 (532.2613456)

Thr Arg Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]pentanedioic acid

C20H36N8O9 (532.2605126)

Ala Ser Asn Asp Leu

C21H36N6O10 (532.2492796)

C29H40O9_(1R,3aS,3bR,6aR,7aS,9R,11R,11aS,12aR,13aR,15aR)-3a,11,11a-Trihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde

NCGC00384918-01_C29H40O9_(1R,3aS,3bR,6aR,7aS,9R,11R,11aS,12aR,13aR,15aR)-3a,11,11a-Trihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde

C29H40O9 (532.2672190000001)

Ala Glu Lys Trp

(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-2-aminopropanamido]butanoic acid