Exact Mass: 631.3006

Exact Mass Matches: 631.3006

Found 190 metabolites which its exact mass value is equals to given mass value 631.3006, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Mesaconitine

[(1S,2R,3R,4R,5R,6S,7S,8R,9R,10S,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

C33H45NO11 (631.2992)

Mesaconitine is a diterpenoid. Mesaconitine is a natural product found in Aconitum anthora, Aconitum napellus, and other organisms with data available. Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid Annotation level-1 Mesaconitine is the main active component of genus aconitum plants. IC50 value: Target: in vitro: In HUVECs, 30 microM mesaconitine increased the [Ca(2+)](i) level in the presence of extracellular CaCl(2) and NaCl, and the response was inhibited by KBR7943. Mesaconitine increased intracellular Na(+) concentration level in HUVECs. The [Ca(2+)](i) response by mesaconitine was inhibited by 100 microM D-tubocurarine [1]. Mesaconitine at 30 microM inhibited 3 microM phenylephrine-induced contraction in the endothelium-intact, but not endothelium-denuded, aortic rings [2]. MA promoted the alpha-MT-induced decrease in NE levels in hippocampus, medulla oblongata plus pons and spinal cord [3]. Mesaconitine is the main active component of genus aconitum plants. IC50 value: Target: in vitro: In HUVECs, 30 microM mesaconitine increased the [Ca(2+)](i) level in the presence of extracellular CaCl(2) and NaCl, and the response was inhibited by KBR7943. Mesaconitine increased intracellular Na(+) concentration level in HUVECs. The [Ca(2+)](i) response by mesaconitine was inhibited by 100 microM D-tubocurarine [1]. Mesaconitine at 30 microM inhibited 3 microM phenylephrine-induced contraction in the endothelium-intact, but not endothelium-denuded, aortic rings [2]. MA promoted the alpha-MT-induced decrease in NE levels in hippocampus, medulla oblongata plus pons and spinal cord [3].

tricaffeoyl spermidine

N1,N5,N10-tricaffeoyl spermidine

C34H37N3O9 (631.253)

Gliadins

2-{[(1-{2-[({1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid

C29H41N7O9 (631.2966)

Isolated from wheat flour or wheat gluten

Mesaconitine

8-(acetyloxy)-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C33H45NO11 (631.2992)

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 (631.3121)

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 (631.3121)

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).

tricaffeoyl spermidine

3-(3,4-Dihydroxyphenyl)-N-{3-[3-(3,4-dihydroxyphenyl)-N-(4-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidate

C34H37N3O9 (631.253)

Tricaffeoyl spermidine belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Tricaffeoyl spermidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tricaffeoyl spermidine can be found in a number of food items such as black radish, breadfruit, persimmon, and jicama, which makes tricaffeoyl spermidine a potential biomarker for the consumption of these food products.

1beta,7beta,11-triacetoxy-4alpha-hydroxy-5alpha-nicotinoyl-8-alpha-tiglyloxydihydroagarofuran|triptersinine L

C32H41NO12 (631.2629)

C33H45NO11

C33H45NO11 (631.2992)

Hybrimycin C1|Hybrimycin C2

C23H45N5O15 (631.2912)

Aconitine

C34H49NO10 (631.3356)

Asp Arg Val Lys Asp

C25H45N9O10 (631.3289)

Asp Glu Leu Asn Gln

C25H41N7O12 (631.2813)

Met Ser Phe Thr Phe

C30H41N5O8S (631.2676)

Asn Arg Glu Ser Leu

C25H45N9O10 (631.3289)

Val Val Asn Trp Asp

C29H41N7O9 (631.2966)

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 (631.319)

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 (631.319)

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 (631.319)

Phe Phe Arg Tyr

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