Exact Mass: 631.3580954

Exact Mass Matches: 631.3580954

Found 175 metabolites which its exact mass value is equals to given mass value 631.3580954, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

PC(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

(2-{[(2R)-3-(acetyloxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propyl phosphono]oxy}ethyl)trimethylazanium

C30H50NO11P (631.312132)

PC(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one acetyl 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)

(2-{[(2R)-2-(acetyloxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propyl phosphono]oxy}ethyl)trimethylazanium

C30H50NO11P (631.312132)

PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

(32S,6S)-6-benzyl-31-[N-(N,N-dimethyl-L-leucyl)-L-isoleucyl]-(32rH,33tH)-2-oxa-5,8-diaza-1(1,4)-benzena-3(3,2)-pyrrolidina-cyclodecaphan-9c-ene-4,7-dione|Amphibin C|amphibine-C

C36H49N5O5 (631.3733503999999)

falconerine

C34H49NO10 (631.3356294)

(32S,6S)-6-(S)-sec-butyl-31-[N-(N,N-dimethyl-L-phenylalanyl)-L-isoleucyl]-(32rH,33tH)-2-oxa-5,8-diaza-1(1,4)-benzena-3(3,2)-pyrrolidina-cyclodecaphan-9c-ene-4,7-dione|Amphibin D|amphibine-D

C36H49N5O5 (631.3733503999999)

thuggacin C

C35H53NO7S (631.3542548)

(25S)-16alpha-acetoxy-3beta-beta-D-glucopyranosyloxy-16,28-seco-solanida-5,22(28)-dien-24-one|Veralodinin|veralodinine

C35H53NO9 (631.3720128)

nagitide B

C36H49N5O5 (631.3733503999999)

Aconitine

C34H49NO10 (631.3356294)

Asp Arg Val Lys Asp

C25H45N9O10 (631.328923)

Asn Arg Glu Ser Leu

C25H45N9O10 (631.328923)

moandaensine B

[C40H47N4O3]+ (631.3647972)

Asp Arg Arg Trp

(3S)-3-amino-3-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}propanoic acid

C27H41N11O7 (631.3190276)

Asp Arg Trp Arg

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

C27H41N11O7 (631.3190276)

Asp Trp Arg Arg

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

C27H41N11O7 (631.3190276)

Phe Phe Arg Tyr

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