Exact Mass: 822.4682895999999
Exact Mass Matches: 822.4682895999999
Found 75 metabolites which its exact mass value is equals to given mass value 822.4682895999999
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
PG(18:3(6Z,9Z,12Z)/PGJ2)
C44H71O12P (822.4682895999999)
PG(18:3(6Z,9Z,12Z)/PGJ2) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylglycerols 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, phosphatidylglycerols 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. PG(18:3(6Z,9Z,12Z)/PGJ2), in particular, consists of one chain of one 6Z,9Z,12Z-octadecatrienoyl at the C-1 position and one chain of Prostaglandin J2 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(PGJ2/18:3(6Z,9Z,12Z))
C44H71O12P (822.4682895999999)
PG(PGJ2/18:3(6Z,9Z,12Z)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylglycerols 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, phosphatidylglycerols 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. PG(PGJ2/18:3(6Z,9Z,12Z)), in particular, consists of one chain of one Prostaglandin J2 at the C-1 position and one chain of 6Z,9Z,12Z-octadecatrienoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(18:3(9Z,12Z,15Z)/PGJ2)
C44H71O12P (822.4682895999999)
PG(18:3(9Z,12Z,15Z)/PGJ2) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylglycerols 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, phosphatidylglycerols 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. PG(18:3(9Z,12Z,15Z)/PGJ2), in particular, consists of one chain of one 9Z,12Z,15Z-octadecatrienoyl at the C-1 position and one chain of Prostaglandin J2 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(PGJ2/18:3(9Z,12Z,15Z))
C44H71O12P (822.4682895999999)
PG(PGJ2/18:3(9Z,12Z,15Z)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylglycerols 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, phosphatidylglycerols 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. PG(PGJ2/18:3(9Z,12Z,15Z)), in particular, consists of one chain of one Prostaglandin J2 at the C-1 position and one chain of 9Z,12Z,15Z-octadecatrienoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
12-O-acetylramanone 3-O-beta-oleandropyranosyl-(1->4)-beta-cymaropyranosyl-(1->4)-beta-cymaropyranoside
cyclo(-Ala1-Pro2-Tyr3-Leu4-Leu5-Pro6-Pro7-Ala8-)|gypsin C
6-O-Acetylsaikosaponin A
6-O-acetylsaikosaponin A is a natural product found in Bupleurum marginatum, Bupleurum marginatum var. stenophyllum, and other organisms with data available.
28-deglucosylchikusetsusaponin V methyl ester|zingibroside-R1 dimethyl ester
(3beta)-3-{[3-O-(6-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}olean-12-en-28-oic acid|6??-O-acetylrandianin B
(3beta)-3-{[3-O-(2-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}olean-12-en-28-oic acid|2??-O-acetylrandianin
6-O-acetyl-saikosaponin B2|6-O-Acetylsaikosaponin b2
Acetyl-Amyloid β-Protein (15-20) amide trifluoroacetate salt
[6-[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C44H70O12S (822.4587740000001)
[6-[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-tridec-9-enoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C44H70O12S (822.4587740000001)
[(2S,3S,6S)-6-[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(7E,10E,13E,16E)-nonadeca-7,10,13,16-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C44H70O12S (822.4587740000001)
[(2S,3S,6S)-6-[2-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-3-[(4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C44H70O12S (822.4587740000001)
[(2S,3S,6S)-6-[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(10E,13E,16E)-nonadeca-10,13,16-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C44H70O12S (822.4587740000001)
[(2S,3S,6S)-6-[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(7E,9E)-nonadeca-7,9-dienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C44H70O12S (822.4587740000001)
[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17s,18r)-10-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxy-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-9-yl]methyl acetate
[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17s,18s)-10-{[(2r,3r,4r,5s,6r)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxy-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-9-yl]methyl acetate
[(2r,3s,4r,5r,6s)-6-{[(2r,3r,4r,5s,6r)-3,5-dihydroxy-2-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17s,18s)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
methyl 6-{[8a-(methoxycarbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate
1α,3β-hydroxyimberbicacid-23-o-α-[ l-4-acetyl-rhamnopyranosyl]-29-o-α-rhamnopyranoside
{"Ingredient_id": "HBIN002287","Ingredient_name": "1\u03b1,3\u03b2-hydroxyimberbicacid-23-o-\u03b1-[ l-4-acetyl-rhamnopyranosyl]-29-o-\u03b1-rhamnopyranoside","Alias": "NA","Ingredient_formula": "C44H70O14","Ingredient_Smile": "CC1C(C(C(C(O1)OC(=O)C2(CCC3(CCC4(C(=CCC5C4(CCC6C5(C(CC(C6(C)COC7C(C(C(C(O7)C)OC(=O)C)O)O)O)O)C)C)C3C2)C)C)C)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10226","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2''-o-acetylsaikosaponin d
{"Ingredient_id": "HBIN006183","Ingredient_name": "2''-o-acetylsaikosaponin d","Alias": "NA","Ingredient_formula": "C44H70O14","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)OC(=O)C)O","Ingredient_weight": "823 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "500","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101690815","DrugBank_id": "NA"}
3''-o-acetylsaikosaponin a
{"Ingredient_id": "HBIN009038","Ingredient_name": "3''-o-acetylsaikosaponin a","Alias": "NA","Ingredient_formula": "C44H70O14","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)OC(=O)C)O)O","Ingredient_weight": "823 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "498","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21637631","DrugBank_id": "NA"}
3-o-acetylsaikosaponin d
{"Ingredient_id": "HBIN009040","Ingredient_name": "3-o-acetylsaikosaponin d","Alias": "NA","Ingredient_formula": "C44H70O14","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)OC(=O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "501","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-o-acetylsaikosaponin d
{"Ingredient_id": "HBIN010741","Ingredient_name": "4-o-acetylsaikosaponin d","Alias": "NA","Ingredient_formula": "C44H70O14","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)OC(=O)C)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "502","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-acetylsaikosaponin d
{"Ingredient_id": "HBIN012610","Ingredient_name": "6-o-acetylsaikosaponin d","Alias": "NA","Ingredient_formula": "C44H70O14","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)COC(=O)C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "503","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}