Exact Mass: 322.99958499999997
Exact Mass Matches: 322.99958499999997
Found 102 metabolites which its exact mass value is equals to given mass value 322.99958499999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pirinixic acid
2-methylthioribosyl-trans-zeatin, also known as wy-14,643 or cxpta, is a member of the class of compounds known as aryl thioethers. Aryl thioethers are organosulfur compounds containing a thioether group that is substituted by an aryl group. 2-methylthioribosyl-trans-zeatin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-methylthioribosyl-trans-zeatin can be found in common pea and common wheat, which makes 2-methylthioribosyl-trans-zeatin a potential biomarker for the consumption of these food products. CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9387; ORIGINAL_PRECURSOR_SCAN_NO 9382 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9350; ORIGINAL_PRECURSOR_SCAN_NO 9349 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4901; ORIGINAL_PRECURSOR_SCAN_NO 4897 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4896; ORIGINAL_PRECURSOR_SCAN_NO 4894 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9397; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4984; ORIGINAL_PRECURSOR_SCAN_NO 4982 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9362; ORIGINAL_PRECURSOR_SCAN_NO 9360 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9288; ORIGINAL_PRECURSOR_SCAN_NO 9287 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4364; ORIGINAL_PRECURSOR_SCAN_NO 4363 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9321; ORIGINAL_PRECURSOR_SCAN_NO 9318 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4386; ORIGINAL_PRECURSOR_SCAN_NO 4382 CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4906; ORIGINAL_PRECURSOR_SCAN_NO 4904 Pirinixic acid (Wy-14643) is a potent agonist of PPARα, with EC50s of 0.63 μM, 32 μM for murine PPARα and PPARγ, and 5.0 μM, 60 μM, 35 μM for human PPARα, PPARγ and PPARδ, respectively.
O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate
C14H14NO4PS (323.03811340000004)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Benodanil
C13H10INO (322.98071200000004)
CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3920; ORIGINAL_PRECURSOR_SCAN_NO 3919 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8439; ORIGINAL_PRECURSOR_SCAN_NO 8437 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3917; ORIGINAL_PRECURSOR_SCAN_NO 3915 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8428; ORIGINAL_PRECURSOR_SCAN_NO 8426 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8422; ORIGINAL_PRECURSOR_SCAN_NO 8419 INTERNAL_ID 203; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8439; ORIGINAL_PRECURSOR_SCAN_NO 8437 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3954; ORIGINAL_PRECURSOR_SCAN_NO 3952 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3950; ORIGINAL_PRECURSOR_SCAN_NO 3946 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8451; ORIGINAL_PRECURSOR_SCAN_NO 8448 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3916; ORIGINAL_PRECURSOR_SCAN_NO 3913 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8442; ORIGINAL_PRECURSOR_SCAN_NO 8438 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3917; ORIGINAL_PRECURSOR_SCAN_NO 3914 CONFIDENCE standard compound; INTERNAL_ID 203; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8370; ORIGINAL_PRECURSOR_SCAN_NO 8367
Wy-14643
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D002273 - Carcinogens > D020025 - Peroxisome Proliferators D009676 - Noxae > D000963 - Antimetabolites D009676 - Noxae > D009153 - Mutagens Pirinixic acid (Wy-14643) is a potent agonist of PPARα, with EC50s of 0.63 μM, 32 μM for murine PPARα and PPARγ, and 5.0 μM, 60 μM, 35 μM for human PPARα, PPARγ and PPARδ, respectively.
N-(1,3-Benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
C15H11Cl2NO3 (323.0115956000001)
Alda-1 is a potent and selective ALDH2 agonist, which activates wild-type ALDH2 and restores near wild-type activity to ALDH2*2.
N-(1,3-Benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
C15H11Cl2NO3 (323.0115956000001)
Dabsyl chloride
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
2,4-dichlorobenzoic acid (6,7-dihydro-5H-benzofuran-4-ylideneamino) ester
C15H11Cl2NO3 (323.0115956000001)
PRZ_M323b
C12H12Cl3NO3 (322.9882732000001)
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2003
PRZ_M323a
C12H12Cl3NO3 (322.9882732000001)
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2004
N-(3,5-DICHLOROBENZENESULFONYL)-L-PROLINE
C11H11Cl2NO4S (322.97858260000004)
N-ACETYL-ALPHA-D-GLUCOSAMINE 6-PHOSPHATE DISODIUM SALT
2-(2-CHLORO-ACETYLAMINO)-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
C15H14ClNO3S (323.03828840000006)
3-(Naphthalene-2-sulfonyl)-thiazolidine-2-carboxylic acid
1-(3,4-Dichlorobenzyl)-4-piperidine-carboxylic acid hydrochloride
2-HYDROXY-5-(4-METHOXY-PHENYLSULFAMOYL)-BENZOIC ACID
6-chloro-3-[(3,5-dichlorophenyl)methylidene]-1H-indol-2-one
1-diethoxyphosphorylsulfanyl-4-nitrobenzene
C10H14NO7PS (323.0228584000001)
ETHYL 3-AMINO-4-(ISOPROPYLSULFONYL)-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE
METHYL 3-(4-CHLOROPHENYL)-4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE
2,3-diacetyloxy-3-(1,3-benzothiazol-2-yl)propanoic acid
METHYL 3-(2-CARBOXY-VINYL)-5-METHANESULFONYL-1H-INDOLE-2-CARBOXYLATE
(2-Amino-5-iodophenyl)(phenyl)methanone
C13H10INO (322.98071200000004)
n-acetylglucosamine 6-sulfate sodium salt
C8H14NNaO9S (323.02869540000006)
ETHYL 4-(4-BROMOBENZOYL)-3-ISOXAZOLECARBOXYLATE
C13H10BrNO4 (322.97931600000004)
2-Benzyl-5-bromoisoindoline hydrochloride (1:1)
C15H15BrClN (323.00763200000006)
N-acetyl-d-glucosamine 6-phosphate disodium salt
Glycogen Metabolism: In mammals, GlcNAc-6-P plays a key role in the synthesis of glycogen, a storage form of glucose in the body. It is formed from glucose-6-phosphate by the enzyme glucosamine-6-phosphate synthase. GlcNAc-6-P is then converted to UDP-N-acetylglucosamine (UDP-GlcNAc), which is essential for the addition of GlcNAc residues to the growing glycogen chain during glycogen synthesis. Pentose Phosphate Pathway (PPP): GlcNAc-6-P can enter the PPP, a metabolic pathway that operates parallel to glycolysis. In the PPP, it is involved in the production of NADPH, which is important for reductive biosynthesis and antioxidant defense, and ribose-5-phosphate, a precursor for nucleotide synthesis. Cell Wall Synthesis in Bacteria and Fungi: In certain bacteria and fungi, GlcNAc-6-P is a precursor for the synthesis of peptidoglycan and chitin, respectively. Peptidoglycan is a major component of the cell wall in bacteria, providing structural support and protection. Chitin, found in the cell walls of fungi and the exoskeletons of arthropods, also plays a structural role. Other Metabolic Roles: GlcNAc-6-P is also involved in the synthesis of other complex carbohydrates and glycoproteins. It serves as a precursor for the synthesis of hyaluronic acid and keratan sulfate, important components of connective tissues and the extracellular matrix. Regulation of Metabolic Pathways: The levels of GlcNAc-6-P can regulate the activity of key enzymes in glucose metabolism. For example, high levels of GlcNAc-6-P can inhibit the enzyme phosphofructokinase-1 (PFK-1), a key regulatory step in glycolysis, thereby modulating the flux of glucose through this pathway. D-Glucopyranose, 2-(acetylamino)-2-deoxy-, 6-(dihydrogen phosphate), disodium salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=102029-88-9 (retrieved 2024-08-06) (CAS RN: 102029-88-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
H-9 dihydrochloride
H-9 Dihydrochloride is a PKA (protein kinase) inhibitor. H-9 Dihydrochloride (10 μM) significantly reduces the excitatory response to 5-HT. H-9 Dihydrochloride also has a direct effect on pharyngeal activity. H-9 Dihydrochloride inhibits signal-transduction and cell growth in EGF (epidermal growth factor)-dependent epithelial cell lines[1][2][3].
9-BROMO-7-METHYL-2-MORPHOLINO-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
dimethyl 7-bromoquinoline-2,4-dicarboxylate
C13H10BrNO4 (322.97931600000004)
(2S)-1-(2,5-dichlorophenyl)sulfonylproline
C11H11Cl2NO4S (322.97858260000004)
7-Chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one
C15H11Cl2NOS (322.99383760000006)
2-(2,4-dichlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
2-(2,4-dichlorophenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester
N-(1,3-dioxo-5-isoindolyl)-1,3-benzothiazole-6-carboxamide
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)picolinic acid
(3aR,4S)-4-(2-amino-5-oxoimidazol-4-yl)-2-bromo-4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]azepin-8-one
5-bromo-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
2-(2-Fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone
C18H10FNO2S (323.04162520000006)
1-[(5-Bromo-2-thiophenyl)sulfonyl]-3-methylpiperidine
N-(2-bromo-4-methylphenyl)-5-ethyl-3-thiophenecarboxamide
C14H14BrNOS (322.99794140000006)
3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
7-(2,4-Dichlorophenyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonitrile
C13H7Cl2N3OS (322.96868720000003)
[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 2,4-dichlorobenzoate
C15H11Cl2NO3 (323.0115956000001)
4-(4-Bromophenyl)-2-(1-piperazinyl)thiazole
C13H14BrN3S (323.00917440000006)
3-[[(5-Bromo-2-furanyl)-oxomethyl]amino]-2-methylbenzoic acid
C13H10BrNO4 (322.97931600000004)
1-(2,3-Dihydroindol-1-yl)-2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]ethanone
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-furancarboxamide
C13H10BrNO4 (322.97931600000004)
2-(4-Chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole
4-[(5-Chloro-1,3-benzothiazol-2-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile
[3-[2,3-Dihydroxypropoxy(oxido)phosphoryl]oxy-2-hydroxypropyl] phosphate
C6H13O11P2-3 (322.99331079999996)
2-(3,5-dichloro-4-methylphenoxy)-N-phenylpropanamide
EPN
C14H14NO4PS (323.03811340000004)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
5-[(4z)-3-bromo-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-imino-1h-imidazol-4-ol
2-bromo-4-[(4e)-5-hydroxy-2-imino-3h-imidazol-4-ylidene]-1h,5h,6h,7h-pyrrolo[2,3-c]azepin-8-one
3-chloro-2-hydroxy-n-[(1s,6r)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid
C14H10ClNO6 (323.01966300000004)
4-bromo-n-[3-(2-imino-3-methyl-1h-imidazol-4-yl)prop-2-en-1-yl]-1h-pyrrole-2-carboxamide
4-bromo-n-[(2z)-3-(2-imino-3-methyl-1h-imidazol-4-yl)prop-2-en-1-yl]-1h-pyrrole-2-carboxamide
2-bromo-4-(5-hydroxy-2-imino-3h-imidazol-4-ylidene)-1h,5h,6h,7h-pyrrolo[2,3-c]azepin-8-one
5-{3-bromo-8-oxo-1h,5h,6h,7h-pyrrolo[2,3-c]azepin-4-ylidene}-2-iminoimidazolidin-4-one
2-bromo-4-[(4z)-5-hydroxy-2-imino-3h-imidazol-4-ylidene]-1h,5h,6h,7h-pyrrolo[2,3-c]azepin-8-one
3-chloro-2-hydroxy-n-[6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid
C14H10ClNO6 (323.01966300000004)