Exact Mass: 630.3609946

Exact Mass Matches: 630.3609946

Found 224 metabolites which its exact mass value is equals to given mass value 630.3609946, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Remikiren

(2S)-2-{[(2R)-2-benzyl-1-hydroxy-3-(2-methylpropane-2-sulphonyl)propylidene]amino}-N-[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-5-yl)propanimidic acid

C33H50N4O6S (630.345088)


Remikiren is only found in individuals that have used or taken this drug. It is an orally active, high specificity renin inhibitor. Several in vivo experiments have shown that remikiren is specific for renin and does not decrease arterial pressure by an unrelated mechanism. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09X - Other agents acting on the renin-angiotensin system > C09XA - Renin-inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

   
   

2,3,23-Triacetylsericic acid

10,11-bis(acetyloxy)-9-[(acetyloxy)methyl]-1-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

C36H54O9 (630.3767634)


2,3,23-Triacetylsericic acid is found in coffee and coffee products. 2,3,23-Triacetylsericic acid is isolated from Quercus ilex (holly oak Isolated from Quercus ilex (holly oak). 2,3,23-Triacetylsericic acid is found in coffee and coffee products and fats and oils.

   

Ganoderic acid Mb

(2E)-5-(acetyloxy)-6-[5,12-bis(acetyloxy)-9-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid

C36H54O9 (630.3767634)


Constituent of cultured mycelium of Ganoderma lucidum (reishi). 3a,15a,22S-Triacetoxy-7a-hydroxylanosta-8,24E-dien-26-oic acid is found in mushrooms. Ganoderic acid Mb is found in mushrooms. Ganoderic acid Mb is a metabolite of Ganoderma lucidum (reishi

   

Goshonoside F4

2-({1,4a-dimethyl-5-[(3Z)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C32H54O12 (630.3615084)


Goshonoside F4 is found in fruits. Goshonoside F4 is a constituent of Rubus foliolosus (Ceylon raspberry). Constituent of Rubus foliolosus (Ceylon raspberry). Goshonoside F4 is found in fruits.

   

(R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin

(6E)-2-Hydroxy-2,6-dimethyl-8-[(2-oxo-2H-chromen-7-yl)oxy]oct-6-en-3-yl (2E)-3-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-hydroxyphenyl)prop-2-enoic acid

C38H46O8 (630.3192516)


(R)-6-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin is found in citrus. (R)-6-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin is a constituent of Citrus hassaku juice oil. Constituent of Citrus hassaku juice oil. (R)-6-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin is found in citrus.

   

Goshonoside F7

2-({1,1,4a-trimethyl-5-[(3Z)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalen-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C32H54O12 (630.3615084)


Goshonoside F7 is found in fruits. Goshonoside F7 is a constituent of Rubus foliolosus (Ceylon raspberry). Constituent of Rubus foliolosus (Ceylon raspberry). Goshonoside F7 is found in fruits.

   

Lyciumoside I

2-(hydroxymethyl)-6-{[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxane-3,4,5-triol

C32H54O12 (630.3615084)


Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside I is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside I is found in coffee and coffee products. Lyciumoside I is a constituent of Lycium chinense (Chinese boxthorn).

   

Ganoderic acid Mc

(2E)-5-(acetyloxy)-6-[5,9-bis(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid

C36H54O9 (630.3767634)


Ganoderic acid Mc is found in mushrooms. Ganoderic acid Mc is a metabolite of Ganoderma lucidum (reishi Metabolite of Ganoderma lucidum (reishi). Ganoderic acid Mc is found in mushrooms.

   

Chapso

3-{dimethyl[3-(4-{5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl}pentanamido)propyl]azaniumyl}-2-hydroxypropane-1-sulfonate

C32H58N2O8S (630.3913668)


   

Gambogenic Acid

4-[7-(3,7-dimethylocta-2,6-dien-1-yl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid

C38H46O8 (630.3192516)


   

Peridinin

3-Hydroxy-4-(10-{[4-(2-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}ethenyl)-5-oxo-2,5-dihydrofuran-2-ylidene]methyl}-3-methylundeca-1,3,5,7,9-pentaen-1-ylidene)-3,5,5-trimethylcyclohexyl acetic acid

C39H50O7 (630.3556349999999)


   

PA(10:0/20:3(6,8,11)-OH(5))

[(2R)-3-(decanoyloxy)-2-{[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(10:0/20:3(6,8,11)-OH(5)) 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(10:0/20:3(6,8,11)-OH(5)), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of 5-hydroxyeicosatetrienoyl 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(20:3(6,8,11)-OH(5)/10:0)

[(2R)-2-(decanoyloxy)-3-{[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(20:3(6,8,11)-OH(5)/10:0) 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(20:3(6,8,11)-OH(5)/10:0), in particular, consists of one chain of one 5-hydroxyeicosatetrienoyl at the C-1 position and one chain of decanoyl 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(12:0/18:2(10E,12Z)+=O(9))

[(2R)-3-(dodecanoyloxy)-2-{[(10E,12Z)-9-oxooctadeca-10,12-dienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(12:0/18:2(10E,12Z)+=O(9)) 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(12:0/18:2(10E,12Z)+=O(9)), in particular, consists of one chain of one dodecanoyl at the C-1 position and one chain of 9-oxo-octadecadienoyl 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(18:2(10E,12Z)+=O(9)/12:0)

[(2R)-2-(dodecanoyloxy)-3-{[(10E,12Z)-9-oxooctadeca-10,12-dienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(18:2(10E,12Z)+=O(9)/12:0) 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(18:2(10E,12Z)+=O(9)/12:0), in particular, consists of one chain of one 9-oxo-octadecadienoyl at the C-1 position and one chain of dodecanoyl 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(12:0/18:2(9Z,11E)+=O(13))

[(2R)-3-(dodecanoyloxy)-2-{[(9Z,11E)-13-oxooctadeca-9,11-dienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(12:0/18:2(9Z,11E)+=O(13)) 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(12:0/18:2(9Z,11E)+=O(13)), in particular, consists of one chain of one dodecanoyl at the C-1 position and one chain of 13-oxo-octadecadienoyl 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(18:2(9Z,11E)+=O(13)/12:0)

[(2R)-2-(dodecanoyloxy)-3-{[(9Z,11E)-13-oxooctadeca-9,11-dienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(18:2(9Z,11E)+=O(13)/12:0) 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(18:2(9Z,11E)+=O(13)/12:0), in particular, consists of one chain of one 13-oxo-octadecadienoyl at the C-1 position and one chain of dodecanoyl 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(12:0/18:3(10,12,15)-OH(9))

[(2R)-3-(dodecanoyloxy)-2-{[(10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(12:0/18:3(10,12,15)-OH(9)) 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(12:0/18:3(10,12,15)-OH(9)), in particular, consists of one chain of one dodecanoyl at the C-1 position and one chain of 9-hydroxyoctadecatrienoyl 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(18:3(10,12,15)-OH(9)/12:0)

[(2R)-2-(dodecanoyloxy)-3-{[(10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(18:3(10,12,15)-OH(9)/12:0) 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(18:3(10,12,15)-OH(9)/12:0), in particular, consists of one chain of one 9-hydroxyoctadecatrienoyl at the C-1 position and one chain of dodecanoyl 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(12:0/18:3(9,11,15)-OH(13))

[(2R)-3-(dodecanoyloxy)-2-{[(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(12:0/18:3(9,11,15)-OH(13)) 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(12:0/18:3(9,11,15)-OH(13)), in particular, consists of one chain of one dodecanoyl at the C-1 position and one chain of 13-hydroxyoctadecatrienoyl 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(18:3(9,11,15)-OH(13)/12:0)

[(2R)-2-(dodecanoyloxy)-3-{[(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(18:3(9,11,15)-OH(13)/12:0) 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(18:3(9,11,15)-OH(13)/12:0), in particular, consists of one chain of one 13-hydroxyoctadecatrienoyl at the C-1 position and one chain of dodecanoyl 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(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

[(2R)-3-(octanoyloxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

C31H51O11P (630.3168826)


PA(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one octanoyl 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 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0)

[(2R)-2-(octanoyloxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

C31H51O11P (630.3168826)


PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of octanoyl 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(i-12:0/18:2(10E,12Z)+=O(9))

[(2R)-3-[(10-methylundecanoyl)oxy]-2-{[(10E,12Z)-9-oxooctadeca-10,12-dienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(i-12:0/18:2(10E,12Z)+=O(9)) 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(i-12:0/18:2(10E,12Z)+=O(9)), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of 9-oxo-octadecadienoyl 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(18:2(10E,12Z)+=O(9)/i-12:0)

[(2R)-2-[(10-methylundecanoyl)oxy]-3-{[(10E,12Z)-9-oxooctadeca-10,12-dienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(18:2(10E,12Z)+=O(9)/i-12:0) 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(18:2(10E,12Z)+=O(9)/i-12:0), in particular, consists of one chain of one 9-oxo-octadecadienoyl 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 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(i-12:0/18:2(9Z,11E)+=O(13))

[(2R)-3-[(10-methylundecanoyl)oxy]-2-{[(9Z,11E)-13-oxooctadeca-9,11-dienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(i-12:0/18:2(9Z,11E)+=O(13)) 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(i-12:0/18:2(9Z,11E)+=O(13)), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of 13-oxo-octadecadienoyl 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(18:2(9Z,11E)+=O(13)/i-12:0)

[(2R)-2-[(10-methylundecanoyl)oxy]-3-{[(9Z,11E)-13-oxooctadeca-9,11-dienoyl]oxy}propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(18:2(9Z,11E)+=O(13)/i-12:0) 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(18:2(9Z,11E)+=O(13)/i-12:0), in particular, consists of one chain of one 13-oxo-octadecadienoyl 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 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(i-12:0/18:3(10,12,15)-OH(9))

[(2R)-2-{[(10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(i-12:0/18:3(10,12,15)-OH(9)) 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(i-12:0/18:3(10,12,15)-OH(9)), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of 9-hydroxyoctadecatrienoyl 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(18:3(10,12,15)-OH(9)/i-12:0)

[(2R)-3-{[(10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoyl]oxy}-2-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(18:3(10,12,15)-OH(9)/i-12:0) 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(18:3(10,12,15)-OH(9)/i-12:0), in particular, consists of one chain of one 9-hydroxyoctadecatrienoyl 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 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(i-12:0/18:3(9,11,15)-OH(13))

[(2R)-2-{[(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(i-12:0/18:3(9,11,15)-OH(13)) 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(i-12:0/18:3(9,11,15)-OH(13)), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of 13-hydroxyoctadecatrienoyl 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(18:3(9,11,15)-OH(13)/i-12:0)

[(2R)-3-{[(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoyl]oxy}-2-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid

C33H59O9P (630.3896493999999)


PA(18:3(9,11,15)-OH(13)/i-12:0) 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(18:3(9,11,15)-OH(13)/i-12:0), in particular, consists of one chain of one 13-hydroxyoctadecatrienoyl 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 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).

   

gambogenic acid

(Z)-4-[(1R,2R,13R,15S)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid

C38H46O8 (630.3192516)


Gambogenic acid is an active ingredient in gamboge, with anticancer activity. Gambogenic acid acts as an effective inhibitor of EZH2, specifically and covalently binds to Cys668 within the EZH2-SET domain, and induces EZH2 ubiquitination[1]. Gambogenic acid is an active ingredient in gamboge, with anticancer activity. Gambogenic acid acts as an effective inhibitor of EZH2, specifically and covalently binds to Cys668 within the EZH2-SET domain, and induces EZH2 ubiquitination[1].

   

Gambogenic

(Z)-4-[(1R,2R,13R,15S)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid

C38H46O8 (630.3192516)


Gambogenic acid is an active ingredient in gamboge, with anticancer activity. Gambogenic acid acts as an effective inhibitor of EZH2, specifically and covalently binds to Cys668 within the EZH2-SET domain, and induces EZH2 ubiquitination[1]. Gambogenic acid is an active ingredient in gamboge, with anticancer activity. Gambogenic acid acts as an effective inhibitor of EZH2, specifically and covalently binds to Cys668 within the EZH2-SET domain, and induces EZH2 ubiquitination[1].

   
   
   
   
   
   
   

3,13-Di-O-beta-D-glucopyranosilgeranyllinalol

3,13-Di-O-beta-D-glucopyranosilgeranyllinalol

C32H54O12 (630.3615084)


   
   
   

Isogambogenic acid

Isogambogenic acid

C38H46O8 (630.3192516)


   
   

Peridinin

Peridinin

C39H50O7 (630.3556349999999)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Window width to select the precursor ion was 3 Da.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. Window width to select the precursor ion was 3 Da.; CONE_VOLTAGE was 20 V.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. Window width to select the precursor ion was 3 Da.; CONE_VOLTAGE was 10 V.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.

   

N-demethylaccedinisine

N-demethylaccedinisine

C40H46N4O3 (630.3569726)


   

dimethyl 2,3-bis[5-(3,7-dimethylocta-2,6-dienyl)-3,6-dioxocyclohexa-1,4-dienyl]succinate|lettowiaquinone

dimethyl 2,3-bis[5-(3,7-dimethylocta-2,6-dienyl)-3,6-dioxocyclohexa-1,4-dienyl]succinate|lettowiaquinone

C38H46O8 (630.3192516)


   
   
   

21-desethyl-21-cyclobutyl spinosyn D 17-pseudoaglycone

21-desethyl-21-cyclobutyl spinosyn D 17-pseudoaglycone

C36H54O9 (630.3767634)


   

16beta,17-dihydroxy-ent-kauran-19-oic acid 19-[alpha-L-arabinopyranosyl-(1->2)-beta-D-glucopyranosyl] ester

16beta,17-dihydroxy-ent-kauran-19-oic acid 19-[alpha-L-arabinopyranosyl-(1->2)-beta-D-glucopyranosyl] ester

C31H50O13 (630.3251250000001)


   

12-(deca-2,4-dienoyl)-6,7-epoxy-4,5,9,12,13,20-hexahydroxy-1-tigliaen-3-one|EBI-61

12-(deca-2,4-dienoyl)-6,7-epoxy-4,5,9,12,13,20-hexahydroxy-1-tigliaen-3-one|EBI-61

C35H50O10 (630.34038)


   
   
   

(-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoylstreptothricin E|Streptothricin-E

(-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoylstreptothricin E|Streptothricin-E

C25H46N10O9 (630.3449066000001)


   

3beta-bryoferulic acid|3beta-O-trans-ferulyl-D:C-friedooleana-7,9(11)-diene-29-oic acid|3beta-[(E)-feruloyloxy]-D:C-friedooleane-7,9(11)-dien-29-oic acid

3beta-bryoferulic acid|3beta-O-trans-ferulyl-D:C-friedooleana-7,9(11)-diene-29-oic acid|3beta-[(E)-feruloyloxy]-D:C-friedooleane-7,9(11)-dien-29-oic acid

C40H54O6 (630.3920184000001)


   

1-O-[2-O-acetyl-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]-12-acetoxy-(2E,6E)-farnesol|crenulatoside F

1-O-[2-O-acetyl-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]-12-acetoxy-(2E,6E)-farnesol|crenulatoside F

C31H50O13 (630.3251250000001)


   

1-O-[2,3-di-O-acetyl-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]-12-hydroxy-(2E,6E)-farnesol|crenulatoside E

1-O-[2,3-di-O-acetyl-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]-12-hydroxy-(2E,6E)-farnesol|crenulatoside E

C31H50O13 (630.3251250000001)


   

kurilensoside F

(25S)-3-O-(2-O-methyl-beta-D-xylopyranosyl)-cholestane-3beta,4beta,5alpha,8,15alpha,16beta,26-heptol

C33H58O11 (630.3978918)


   

Urs-11-en-28-oic acid,13-hydroxy-3-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, g-lactone, (3b)- (9CI)

Urs-11-en-28-oic acid,13-hydroxy-3-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, g-lactone, (3b)- (9CI)

C40H54O6 (630.3920184000001)


   

Vernonioside A3

Vernonioside A3

C35H50O10 (630.34038)


   
   

Streptothricin E

Streptothricin E

C25H46N10O9 (630.3449066000001)


A natural product found in Streptomyces sp. I08A 1776.

   
   

(22R)-27-hydroxy-7alpha-methoxy-1-oxowitha-3,5,24-trienolide 27-O-beta-D-glucopyranoside

(22R)-27-hydroxy-7alpha-methoxy-1-oxowitha-3,5,24-trienolide 27-O-beta-D-glucopyranoside

C35H50O10 (630.34038)


   

(3beta)-17-carboxy-28,30-dinoroleana-12,20(29)-dien-3-yl beta-D-glucopyranosiduronic acid 6-methyl ester|(3beta)-3-hydroxy-noroleana-12,20(29)-dien-28-oic acid 3- (beta-D-glucopyranosiduronic acid 6-methyl ester)

(3beta)-17-carboxy-28,30-dinoroleana-12,20(29)-dien-3-yl beta-D-glucopyranosiduronic acid 6-methyl ester|(3beta)-3-hydroxy-noroleana-12,20(29)-dien-28-oic acid 3- (beta-D-glucopyranosiduronic acid 6-methyl ester)

C36H54O9 (630.3767634)


   

21-(E)-feruloyloxy-5alpha-cycloart-24-ene-3,23-dione

21-(E)-feruloyloxy-5alpha-cycloart-24-ene-3,23-dione

C40H54O6 (630.3920184000001)


   

diacetyldimethylbartogenate|dimethyl 2alpha,3beta-diacetyl-19alpha-hydroxybartogenate

diacetyldimethylbartogenate|dimethyl 2alpha,3beta-diacetyl-19alpha-hydroxybartogenate

C36H54O9 (630.3767634)


   

12-Hydroxystrychnobiline

12-Hydroxystrychnobiline

C40H46N4O3 (630.3569726)


   
   
   

cytosporolide C

cytosporolide C

C35H50O10 (630.34038)


   

1,2-dihydro-5beta,21alpha-dihydroxy-21-methyl-6alpha,7alpha-epoxy-9,13,14-ortho-1alpha-(33E-pentadecenoate)-resiniferonol-36-oic acid|kirkinine E

1,2-dihydro-5beta,21alpha-dihydroxy-21-methyl-6alpha,7alpha-epoxy-9,13,14-ortho-1alpha-(33E-pentadecenoate)-resiniferonol-36-oic acid|kirkinine E

C36H54O9 (630.3767634)


   

1-O-[3-O-acetyl-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]-12-acetoxy-(2E,6E)-farnesol|crenulatoside G

1-O-[3-O-acetyl-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]-12-acetoxy-(2E,6E)-farnesol|crenulatoside G

C31H50O13 (630.3251250000001)


   

19alpha-hydroxy-2alpha,3alpha,24-triacetoxyurs-12-en-28-oic acid

19alpha-hydroxy-2alpha,3alpha,24-triacetoxyurs-12-en-28-oic acid

C36H54O9 (630.3767634)


   

all-trans-(3S,5R,6R,3S,5R,6S)-peridinin

all-trans-(3S,5R,6R,3S,5R,6S)-peridinin

C39H50O7 (630.3556349999999)


   

Lys Ile Gln Asp Lys

Lys Ile Gln Asp Lys

C27H50N8O9 (630.370057)


   
   

Ser Leu Arg Leu Asp

Ser Leu Arg Leu Asp

C27H50N8O9 (630.370057)


   

His Arg Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Tyr His Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

iso-GNA

(E)-4-[(2S,13S)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid

C38H46O8 (630.3192516)


   

His Arg Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H42N12O6 (630.3350112)


   

His Tyr Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Asn Arg Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C27H42N12O6 (630.3350112)


   

Asn Arg Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Asn Trp Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Arg His Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H42N12O6 (630.3350112)


   

Arg His Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Arg Asn Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C27H42N12O6 (630.3350112)


   

Arg Asn Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Arg Arg His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H42N12O6 (630.3350112)


   

Arg Arg Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C27H42N12O6 (630.3350112)


   

Arg Arg Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C27H42N12O6 (630.3350112)


   

Arg Arg Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C27H42N12O6 (630.3350112)


   

Arg Trp Asn Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Arg Trp Arg Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanoic acid

C27H42N12O6 (630.3350112)


   

Arg Tyr His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Arg Tyr Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C27H42N12O6 (630.3350112)


   

Trp Asn Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Trp Arg Asn Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Trp Arg Arg Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanoic acid

C27H42N12O6 (630.3350112)


   

Tyr Arg His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C27H42N12O6 (630.3350112)


   

Tyr Arg Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C27H42N12O6 (630.3350112)


   

KIQDK

Lys Ile Gln Asp Lys

C27H50N8O9 (630.370057)


   

DIHYDROGAMBOGIC ACID

DIHYDROGAMBOGIC ACID

C38H46O8 (630.3192516)


   

2,3,23-Triacetylsericic acid

10,11-bis(acetyloxy)-9-[(acetyloxy)methyl]-1-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

C36H54O9 (630.3767634)


   

Ganoderic acid Mb

(2E)-5-(acetyloxy)-6-[5,12-bis(acetyloxy)-9-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid

C36H54O9 (630.3767634)


   

Ganoderic acid Mc

(2E)-5-(acetyloxy)-6-[5,9-bis(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid

C36H54O9 (630.3767634)


   

Goshonoside F4

2-({1,4a-dimethyl-5-[(3Z)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-decahydronaphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C32H54O12 (630.3615084)


   

Goshonoside F7

2-{[(2Z)-5-(5,5,8a-trimethyl-2-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-1-yl)-3-methylpent-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C32H54O12 (630.3615084)


   

(R)-6-O-(4-Geranyloxy-2-hydroxy)-cinnamoylmarmin

(6E)-2-hydroxy-2,6-dimethyl-8-[(2-oxo-2H-chromen-7-yl)oxy]oct-6-en-3-yl (2E)-3-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-hydroxyphenyl)prop-2-enoate

C38H46O8 (630.3192516)


   

Lyciumoside I

2-(hydroxymethyl)-6-{[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxane-3,4,5-triol

C32H54O12 (630.3615084)


   

Nor-peridinin1

(3S,5R,6S,8R,3S,5R,6R)-5,8-Epoxy-3-ethanoyloxy-3,5-dihydroxy-5,6,5,6-tetrahydro-6,7-didehydro-12,13,20-trinor-beta,beta-caroten-19,11-olide

C39H50O7 (630.3556349999999)


   

Nor-peridinin2

(3S,5R,6S,8S,3S,5R,6S)-5,8-Epoxy-3-ethanoyloxy-3,5-dihydroxy-5,6,5,6-tetrahydro-6,7-didehydro-12,13,20-trinor-beta,beta-caroten-19,11-olide

C39H50O7 (630.3556349999999)


   
   
   

[4-(4-butyl-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]anilino)phenyl]methanol

[4-(4-butyl-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]anilino)phenyl]methanol

C45H46N2O (630.3609946)


   
   

2-[3-[5,5-dimethyl-3-[4-(1,3,3-trimethylindol-1-ium-2-yl)but-3-en-2-ylidene]cyclohexen-1-yl]but-2-enylidene]-1,3,3-trimethylindole,perchlorate

2-[3-[5,5-dimethyl-3-[4-(1,3,3-trimethylindol-1-ium-2-yl)but-3-en-2-ylidene]cyclohexen-1-yl]but-2-enylidene]-1,3,3-trimethylindole,perchlorate

C38H47ClN2O4 (630.3224172)


   

Boc-Gln-Ala-Arg-7-Amino-4-Methylcoumarin

Boc-Gln-Ala-Arg-7-Amino-4-Methylcoumarin

C29H42N8O8 (630.3125452)


   

L-Urobilin

STERCOBILIN HYDROCHLORIDE

C33H47ClN4O6 (630.3183951999999)


L-Urobilin or Stercobilin is a byproduct of bilirubin degradation. It is a tetrapyrrole chemical compound, responsible for the typical brown color of human feces. It is created by bacterial action on bilirubin and subsequent oxidation. In plasma virtually all the bilirubin is tightly bound to plasma proteins, largely albumin, because it is only sparingly soluble in aqueous solutions at physiological pH. In the sinusoids unconjugated bilirubin dissocates from albumin, enters the liver cells across the cell membrane through non-ionic diffusion to the smooth endoplasmatic reticulum, where it is converted to a water-soluble ester glucuronide by bilirubin UDP-glucuronyl transferase. Following conjugation, bilirubin is transferred rapidly across the canalicular membrane into the bile canaliculi. In the intestinal tract bilirubin is reduced to urobilinogen, which is subsequently reabsorbed to some extent into the enterohepatic circulation, removed from plasma by the liver and excreted unchanged in the bile. The residual part of urobilinogen is further reduced to urobilin, stercobilin and dipyrrolmethenes and excreted in the feces. [HMDB]

   

Oleanoic acid 3-O-glucuronide

Oleanoic acid 3-O-glucuronide

C36H54O9-2 (630.3767634)


   

3-Hydroxy-4-methyl-anthranilate pentapeptide lactone

3-Hydroxy-4-methyl-anthranilate pentapeptide lactone

C31H46N6O8 (630.3376956)


   

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2Z,6E,10E)-2,6,10,14-tetramethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2Z,6E,10E)-2,6,10,14-tetramethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxane-3,4,5-triol

C32H54O12 (630.3615084)


   
   
   
   
   
   
   
   
   

[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate

[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate

C33H59O9P (630.3896493999999)


   

[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate

[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate

C33H59O9P (630.3896493999999)


   

[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate

[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate

C33H59O9P (630.3896493999999)


   

[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate

[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate

C33H59O9P (630.3896493999999)


   

[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate

[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate

C33H59O9P (630.3896493999999)


   

[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate

[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate

C33H59O9P (630.3896493999999)


   

PA(i-12:0/18:3(10,12,15)-OH(9))

PA(i-12:0/18:3(10,12,15)-OH(9))

C33H59O9P (630.3896493999999)


   

PA(18:3(10,12,15)-OH(9)/i-12:0)

PA(18:3(10,12,15)-OH(9)/i-12:0)

C33H59O9P (630.3896493999999)


   

PA(i-12:0/18:3(9,11,15)-OH(13))

PA(i-12:0/18:3(9,11,15)-OH(13))

C33H59O9P (630.3896493999999)


   

PA(18:3(9,11,15)-OH(13)/i-12:0)

PA(18:3(9,11,15)-OH(13)/i-12:0)

C33H59O9P (630.3896493999999)


   

PA(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

PA(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C31H51O11P (630.3168826)


   

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0)

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0)

C31H51O11P (630.3168826)


   
   

Jasplakinolide Q

Jasplakinolide Q

C36H46N4O6 (630.3417176)


A cyclodepsipeptide isolated from Jaspis splendens.

   

ethyl (2E,4S)-4-[(2S)-2-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-(tert-butoxy)butanamido]-4-methylpentanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

ethyl (2E,4S)-4-[(2S)-2-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-(tert-butoxy)butanamido]-4-methylpentanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

C33H50N4O8 (630.362846)


   

(-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoylstreptothricin E

(-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoylstreptothricin E

C25H46N10O9 (630.3449066000001)


A natural product found in Streptomyces sp. I08A 1776.

   

lumutinine D

lumutinine D

C40H46N4O3 (630.3569726)


A natural product found in Alstonia macrophylla.

   

1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea

1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea

C37H50N4O5 (630.378101)


   

N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(1-oxo-2-phenylethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide

N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(1-oxo-2-phenylethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide

C36H46N4O6 (630.3417176)


   

N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

C35H46N6O5 (630.3529506)


   

1-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea

1-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea

C37H50N4O5 (630.378101)


   

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-2-formamido-3,4-dihydroxy-15-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(methylazaniumyl)ethyl phosphate

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-2-formamido-3,4-dihydroxy-15-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(methylazaniumyl)ethyl phosphate

C27H55N2O12P (630.349244)


   

methyl (1S,9R,16S,18R,21S)-6-[(15R,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2-methyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate

methyl (1S,9R,16S,18R,21S)-6-[(15R,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2-methyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate

C41H50N4O2 (630.3933559999999)


   

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-2-formamido-3,4-dihydroxy-15-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(methylamino)ethyl hydrogen phosphate

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-2-formamido-3,4-dihydroxy-15-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(methylamino)ethyl hydrogen phosphate

C27H55N2O12P (630.349244)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-undecoxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-undecoxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C33H59O9P (630.3896493999999)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]propan-2-yl] undecanoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]propan-2-yl] undecanoate

C33H59O9P (630.3896493999999)


   

[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

C32H55O10P (630.353266)


   

[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate

[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate

C32H55O10P (630.353266)


   

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

C32H55O10P (630.353266)


   

[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate

[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate

C32H55O10P (630.353266)


   

[1-[(2-decanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-[(2-decanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C32H55O10P (630.353266)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

C32H55O10P (630.353266)


   

[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate

[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate

C32H55O10P (630.353266)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

C32H55O10P (630.353266)


   

[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate

[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate

C32H55O10P (630.353266)


   

[1-decanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-decanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C32H55O10P (630.353266)


   

[1-decanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

[1-decanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C32H55O10P (630.353266)


   

[1-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

[1-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C35H51O8P (630.3321376)


   

[1-[(E)-dec-4-enoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

[1-[(E)-dec-4-enoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

C32H55O10P (630.353266)


   

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C35H51O8P (630.3321376)


   

[1-[(4E,7E)-deca-4,7-dienoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate

[1-[(4E,7E)-deca-4,7-dienoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate

C32H55O10P (630.353266)


   

methyl (2S)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-[(2R,3R)-3-ethyl-2-(2-hydroxyethyl)-1,2,3,4-tetrahydroindolo[2,3-a]quinolizin-7-yl]propanoate

methyl (2S)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-[(2R,3R)-3-ethyl-2-(2-hydroxyethyl)-1,2,3,4-tetrahydroindolo[2,3-a]quinolizin-7-yl]propanoate

C40H46N4O3 (630.3569726)


   

Remikiren

Remikiren

C33H50N4O6S (630.345088)


C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09X - Other agents acting on the renin-angiotensin system > C09XA - Renin-inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

   

(R)-6-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin

(R)-6-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin

C38H46O8 (630.3192516)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

ST 29:5;O4;GlcA

ST 29:5;O4;GlcA

C35H50O10 (630.34038)