Exact Mass: 640.3459

Exact Mass Matches: 640.3459

Found 53 metabolites which its exact mass value is equals to given mass value 640.3459, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PA(8:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

[(2R)-2-{[(5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-3-(octanoyloxy)propoxy]phosphonic acid

C33H53O10P (640.3376)


PA(8:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 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(8:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of Resolvin D5 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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/8:0)

[(2R)-3-{[(5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-2-(octanoyloxy)propoxy]phosphonic acid

C33H53O10P (640.3376)


PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/8:0), in particular, consists of one chain of one Resolvin D5 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(8:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

[(2R)-2-{[(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-3-(octanoyloxy)propoxy]phosphonic acid

C33H53O10P (640.3376)


PA(8:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 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(8:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of Protectin DX 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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/8:0)

[(2R)-3-{[(4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-2-(octanoyloxy)propoxy]phosphonic acid

C33H53O10P (640.3376)


PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/8:0), in particular, consists of one chain of one Protectin DX 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).

   

Resibufogenin-3-succinoylargininester

Resibufogenin-3-succinoylargininester

C34H48N4O8 (640.3472)


   

1beta,2beta,3,beta4,beta,5beta-pentahydroxy-spiro-25(27)-en-5-O-beta-D-glucopyranoside|Aspidoside A

1beta,2beta,3,beta4,beta,5beta-pentahydroxy-spiro-25(27)-en-5-O-beta-D-glucopyranoside|Aspidoside A

C33H52O12 (640.3459)


   

anzurogenin C 24-O-beta-D-glucopyranoside (anzuroside)

anzurogenin C 24-O-beta-D-glucopyranoside (anzuroside)

C33H52O12 (640.3459)


   

Glu Lys Leu Thr His

Glu Lys Leu Thr His

C28H48N8O9 (640.3544)


   

Arg Phe Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C30H44N10O6 (640.3445)


   

Phe Arg Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H44N10O6 (640.3445)


   

Phe Arg Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C30H44N10O6 (640.3445)


   

Phe Tyr Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C30H44N10O6 (640.3445)


   

Arg Phe Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H44N10O6 (640.3445)


   

Arg Arg Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H44N10O6 (640.3445)


   

Arg Arg Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C30H44N10O6 (640.3445)


   

Arg Tyr Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C30H44N10O6 (640.3445)


   

Arg Tyr Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C30H44N10O6 (640.3445)


   

Tyr Phe Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C30H44N10O6 (640.3445)


   

Tyr Arg Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C30H44N10O6 (640.3445)


   

Tyr Arg Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C30H44N10O6 (640.3445)


   

1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(((2R)-1-(4-(4-(3-(hexahydro-1H-azepin-1-yl)propoxy)phenyl)butyl)-2-pyrrolidinyl)methyl)-

1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(((2R)-1-(4-(4-(3-(hexahydro-1H-azepin-1-yl)propoxy)phenyl)butyl)-2-pyrrolidinyl)methyl)-

C39H49ClN4O2 (640.3544)


   

(Arachidoyl)adenylate

(Arachidoyl)adenylate

C30H51N5O8P- (640.3475)


   

PA(8:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

PA(8:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

C33H53O10P (640.3376)


   

PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/8:0)

PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/8:0)

C33H53O10P (640.3376)


   

PA(8:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

PA(8:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

C33H53O10P (640.3376)


   

PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/8:0)

PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/8:0)

C33H53O10P (640.3376)


   

Smgdg O-16:1_5:0

Smgdg O-16:1_5:0

C30H56O12S (640.3492)


   

Smgdg O-19:1_2:0

Smgdg O-19:1_2:0

C30H56O12S (640.3492)


   

Smgdg O-13:1_8:0

Smgdg O-13:1_8:0

C30H56O12S (640.3492)


   

Smgdg O-14:1_7:0

Smgdg O-14:1_7:0

C30H56O12S (640.3492)


   

Smgdg O-15:1_6:0

Smgdg O-15:1_6:0

C30H56O12S (640.3492)


   

Smgdg O-18:1_3:0

Smgdg O-18:1_3:0

C30H56O12S (640.3492)


   

Smgdg O-17:1_4:0

Smgdg O-17:1_4:0

C30H56O12S (640.3492)


   

Smgdg O-8:0_13:1

Smgdg O-8:0_13:1

C30H56O12S (640.3492)


   

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C33H53O10P (640.3376)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C33H53O10P (640.3376)


   

[(2S,3S,6S)-6-[(2S)-2-decanoyloxy-3-undecanoyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[(2S)-2-decanoyloxy-3-undecanoyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C30H56O12S (640.3492)


   

[(2S,3S,6S)-6-[(2S)-3-decanoyloxy-2-undecanoyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[(2S)-3-decanoyloxy-2-undecanoyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C30H56O12S (640.3492)


   

[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(E)-undec-4-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(E)-undec-4-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C33H53O10P (640.3376)


   
   
   
   

PA 18:3/12:3;O2

PA 18:3/12:3;O2

C33H53O10P (640.3376)


   

PA 18:4/12:2;O2

PA 18:4/12:2;O2

C33H53O10P (640.3376)


   
   
   
   

ST 27:2;O6;GlcA

ST 27:2;O6;GlcA

C33H52O12 (640.3459)


   

ST 27:3;O7;Hex

ST 27:3;O7;Hex

C33H52O12 (640.3459)


   

aspidoside a

NA

C33H52O12 (640.3459)


{"Ingredient_id": "HBIN017153","Ingredient_name": "aspidoside a","Alias": "NA","Ingredient_formula": "C33H52O12","Ingredient_Smile": "CC1C2C(CC3C2(CCC4C3CCC5(C4(C(C(C(C5O)O)O)O)C)OC6C(C(C(C(O6)CO)O)O)O)C)OC17CCC(=C)CO7","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

5-carbamimidamido-2-[(4-{[7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-1-hydroxy-4-oxobutylidene)amino]pentanoic acid

5-carbamimidamido-2-[(4-{[7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-1-hydroxy-4-oxobutylidene)amino]pentanoic acid

C34H48N4O8 (640.3472)


   

(2s)-5-carbamimidamido-2-[(4-{[(1r,2s,4r,6r,7r,10s,11s,14s,16r)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-1-hydroxy-4-oxobutylidene)amino]pentanoic acid

(2s)-5-carbamimidamido-2-[(4-{[(1r,2s,4r,6r,7r,10s,11s,14s,16r)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-1-hydroxy-4-oxobutylidene)amino]pentanoic acid

C34H48N4O8 (640.3472)