Exact Mass: 546.2134718

Exact Mass Matches: 546.2134718

Found 146 metabolites which its exact mass value is equals to given mass value 546.2134718, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Farglitazar

2-[(2-benzoylphenyl)amino]-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propanoic acid

C34H30N2O5 (546.215461)

Tryptoquivaline

1-(3-{1-hydroxy-2,2-dimethyl-3,5-dioxo-1,2,3,9a-tetrahydrospiro[imidazolidino[1,2-a]indole-9,2-oxolane]-4-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl acetate

C29H30N4O7 (546.2114389999999)

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

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

C25H39O11P (546.2229874)

PA(2:0/20:5(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(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 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)/2:0)

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

C25H39O11P (546.2229874)

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

MLS000863642

C29H30N4O7 (546.2114389999999)

(+)-1,2-Dehydro-2-nortelobine

(+)-1,2-Didehydro-2-nortelobine

C34H30N2O5 (546.215461)

Physalin T

C28H34O11 (546.2101014)

[3S-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-6-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4H-3,9a-methano-1-benzoxepin-4-one

C28H34O11 (546.2101014)

3alpha-dihydrocadambine

C27H34N2O10 (546.2213344)

1,2-Dehydroapateline

(+)-1,2-Dehydroapateline

C34H30N2O5 (546.215461)

Sinensol H

C35H30O6 (546.2042280000001)

Brachycerine

C27H34N2O10 (546.2213344)

3-O-acetylanthothecanolide

(-)-3-O-Acetylanthothecanolide

C28H34O11 (546.2101014)

3beta-Isodihydrocadambine

C27H34N2O10 (546.2213344)

(2E)-2,3-didehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,12E)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,12-triene-82,14-dione|Maysin|Maysin (5)|maysine

(2E)-2,3-didehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,12E)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,12-triene-82,14-dione|Maysin|Maysin (5)|maysine

C28H35ClN2O7 (546.2132670000001)

citrusin

C28H34O11 (546.2101014)

DEHYDROBRUCEANTIN

C28H34O11 (546.2101014)

erythro-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate|threo-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate

erythro-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate|threo-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate

C28H34O11 (546.2101014)

3beta-Isodihydrocadambin

C27H34N2O10 (546.2213344)

Benzyl glycoside,6-O-benzylidene,2-Ac-beta-Pyranose-3-O-alpha-L-Rhamnopyranosyl-D-galactose

C28H34O11 (546.2101014)

Pyrano[4,3:4,5]azepino[1,2:1,2]pyrido[3,4-b]indole-1-carboxylic acid, 4-(beta-D-glucopyranosyloxy)-4,4a,5,6,8,9,14,14b,15,15a-decahydro-5-hydroxy-, methyl ester, (4S,4aS,5S,14bS,15aS)-

C27H34N2O10 (546.2213344)

lysidicin H

C28H34O11 (546.2101014)

(1R,2S,4R,5S,6R,7R,9S,10S)-9-benzoyloxy-1-hydroxy-2,6,15-triacetoxy-8-oxo-dihydro-beta-agarofuran

C28H34O11 (546.2101014)

Dihydrocadambin

C27H34N2O10 (546.2213344)

1-O-deacetyl-2alpha-methoxylkhayanolide E|khayseneganin G

C28H34O11 (546.2101014)

4,C4-dihydro-4-hydroxy-8-oxo-beta-agarofuran-1alpha,2alpha,6beta,9alpha-tetrayl 1alpha,2alpha,6beta-triacetate 9alpha-benzoate

C28H34O11 (546.2101014)

C21H38O16

C21H38O16 (546.2159748)

(2S)-1-acetoxy-4t-[2-((S)-1-hydroxy-2-methyl-propyl)-4-oxo-4H-quinazolin-3-yl]-2,2-dimethyl-(2rC8a,9rO,9at)-3,4,1,9a-tetrahydro-2H-spiro[furan-2,9-imidazo[1,2-a]indole]-5,3-dione|Isotryptoquivalin|Isotryptoquivaline|Tryptoquivalin C

(2S)-1-acetoxy-4t-[2-((S)-1-hydroxy-2-methyl-propyl)-4-oxo-4H-quinazolin-3-yl]-2,2-dimethyl-(2rC8a,9rO,9at)-3,4,1,9a-tetrahydro-2H-spiro[furan-2,9-imidazo[1,2-a]indole]-5,3-dione|Isotryptoquivalin|Isotryptoquivaline|Tryptoquivalin C

C29H30N4O7 (546.2114389999999)

His Phe Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-carboxybutanamido]butanedioic acid

C24H30N6O9 (546.207417)

Phe Glu His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C24H30N6O9 (546.207417)

N, N, N-Di-p-hydroxybenxoyl, feruloylagmatine

C29H30N4O7 (546.2114389999999)

Cymoside - CASMI2016 Category 1 - Challenge 5

C27H34N2O10 (546.2213344)

Farglitazar

C34H30N2O5 (546.215461)

CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5746; ORIGINAL_PRECURSOR_SCAN_NO 5743 C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5760; ORIGINAL_PRECURSOR_SCAN_NO 5756 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5717; ORIGINAL_PRECURSOR_SCAN_NO 5714 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5752; ORIGINAL_PRECURSOR_SCAN_NO 5748 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5751; ORIGINAL_PRECURSOR_SCAN_NO 5750 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5754; ORIGINAL_PRECURSOR_SCAN_NO 5753 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10453; ORIGINAL_PRECURSOR_SCAN_NO 10449 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10505; ORIGINAL_PRECURSOR_SCAN_NO 10503 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10516; ORIGINAL_PRECURSOR_SCAN_NO 10511 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10552; ORIGINAL_PRECURSOR_SCAN_NO 10548 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10569; ORIGINAL_PRECURSOR_SCAN_NO 10567 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10577; ORIGINAL_PRECURSOR_SCAN_NO 10575

Ala Met Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid