Exact Mass: 444.09757460000003
Exact Mass Matches: 444.09757460000003
Found 222 metabolites which its exact mass value is equals to given mass value 444.09757460000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Granaticin
Desacetylmycothiol
Seladelpar
C21H23F3O5S (444.12182240000004)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Seladelpar (MBX-8025) is an orally active, potent (50\% effect concentration EC50 2 nM), and specific PPAR-δ agonist[1][2].
5-O-[(R)-Hydroxy{[(2s)-Pyrrolidin-2-Ylcarbonyl]oxy}phosphoryl]adenosine
Rothindin
Rothindin is found in herbs and spices. Rothindin is isolated from Trifolium pratense (red clover). Isolated from Trifolium pratense (red clover). Rothindin is found in tea and herbs and spices.
Formononetin 7-O-glucuronide
Formononetin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Artomunoxanthentrione
Artomunoxanthentrione is found in breadfruit. Artomunoxanthentrione is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). Artomunoxanthentrione is found in breadfruit and fruits.
6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Betavulgarin xyloside
Betavulgarin xyloside is found in root vegetables. Betavulgarin xyloside is a constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Betavulgarin xyloside is found in root vegetables.
4-Hydroxyphenytoin glucuronide
C21H20N2O9 (444.11687500000005)
4-Hydroxyphenytoin glucuronide is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
Formononetin 7-glucuronide
Canagliflozin
Luprostiol
C21H29ClO6S (444.13732840000006)
(2S)-1,1,1-Trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate
C18H22ClN2O7P (444.08531020000004)
Seladelpar
C21H23F3O5S (444.12182240000004)
Defibrotide
Vercirnon
C22H21ClN2O4S (444.0910496000001)
Vulgamycin
3'-O-Methylderhamnosylmaysin
3-o-methylderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-o-methylderhamnosylmaysin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-o-methylderhamnosylmaysin can be found in corn, which makes 3-o-methylderhamnosylmaysin a potential biomarker for the consumption of this food product.
1,3-Diferuloylglycerol
1,3-diferuloylglycerol belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. 1,3-diferuloylglycerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1,3-diferuloylglycerol can be found in common wheat, which makes 1,3-diferuloylglycerol a potential biomarker for the consumption of this food product.
Volubilin
(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6,5-e]pyran-7(7aH)-one
Enterocin
Isovolubilin
7-Hydroxy-5,4-dimethoxyflavone 8-C-rhamnoside
5,7,8-Trihydroxy-3,6,4-trimethoxy-flavone 8-isovalerate
Artomunoxanthentrione
Rothindin
DODECAMETHYLCYCLOHEXASILOXANE
C12H36O6Si6 (444.11274360000004)
D001697 - Biomedical and Dental Materials
5-Methoxypodophyllotoxin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.156 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.096 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.064 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.075
1,2-O-di-(trans-feruloyl)glycerol|1,2-O-diferuloylglycerol
7-(2,3-Dihydroxy-3-methylbutoxy)-2-(1,3-benzodioxole-5-yl)-3,5-dimethoxy-4H-1-benzopyran-4-one
4-[2-(4-hydroxyphenyl)ethyl]benzofuran-2-carboxylic acid (2S,3R,4S,5S,6R)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl ester|beta-D-glucopyranosyl 4-[2-(4-hydroxyphenyl)ethyl]benzofuran-2-carboxylate|tyrolobibenzyl A
(1R)-2c-Aethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-1r-carbonsaeure-methylester|(1R)-2c-ethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacene-1r-carboxylic acid methyl ester|epsilon-Iso-rhodomycinon|epsilon-iso-rhodomycinone|epsilon-Isorhodomycinon|epsilon-Isorhodomycinone
Ala Cys Asp His
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Glu Cys His Gly
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Betavulgarin xyloside
Formononetin 7-O-glucuronide
sermetacin
C22H21ClN2O6 (444.10880760000003)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate
C22H17N2NaO5S (444.07558320000004)
DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE
3-[(3-aminophenyl)-[3,5-bis(trifluoromethyl)phenyl]phosphoryl]aniline
C20H15F6N2OP (444.08261419999997)
(3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
4-(2,2-DIPHENYLPROPANE-4-YLOXYSULFONYL) NAPHTHOQUINONE-1,2-DIAZIDE
C25H20N2O4S (444.11437200000006)
3-O-ACETYL-6-O-BENZOYL-5-O-(METHYLSULFONYL)-1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE
ETHYL 4,4,4-TRIFLUORO-2-(TRIPHENYLPHOSPHORANYLIDENE)ACETOACETATE
2-[2-methyl-5-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetic acid
Canagliflozin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BK - Sodium-glucose co-transporter 2 (sglt2) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D000077203 - Sodium-Glucose Transporter 2 Inhibitors C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor
Defibrotide
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-(1-METHYL-1-PHENYLETHYL)PHENYL 3-DIAZO-3,4-DIHYDRO-4-OXO-1-NAPHTHALENESULFONATE
C25H20N2O4S (444.11437200000006)
Vercirnon
C22H21ClN2O4S (444.0910496000001)
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist
2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate
C18H22ClN2O7P (444.08531020000004)
5-(1,3-Benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide
C25H20N2O4S (444.11437200000006)
3-[2-[(E)-[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
1-{3-[(4-Pyridin-2-Ylpiperazin-1-Yl)sulfonyl]phenyl}-3-(1,3-Thiazol-2-Yl)urea
(11r)-10-Acetyl-11-(2,4-Dichlorophenyl)-6-Hydroxy-3,3-Dimethyl-2,3,4,5,10,11-Hexahydro-1h-Dibenzo[b,E][1,4]diazepin-1-One
(1S,2E,3S,6R,8R,9S)-1,3,8,10-tetrahydroxy-2-[hydroxy(phenyl)methylidene]-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-aminopropyl)phosphinic acid
C12H22N4O10P2 (444.08111319999995)
[9-(2-Carboxy-5-isothiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
C25H22N3O3S+ (444.1381802000001)
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
(1S,12S,15R,17R,19S)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.01,10.03,8.015,19]nonadeca-3(8),4,6,9-tetraene-2,11,13-trione
(4-Chloro-1-ethyl-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanone
2-(5-oxo-2,3-dihydro[1,3]thiazolo[3,2:1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
N-(2,5-dimethoxyphenyl)-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfonyl]acetamide
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
C22H16F4N4O2 (444.12093239999996)
1-Amino-4-(1-naphthalenylamino)-9,10-dioxo-2-anthracenesulfonic acid
5-(2,4-difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide
C22H15F3N2O3S (444.07554360000006)
3-[1-(4-bromophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,2-dimethylindole
3-L-prolyl-AMP
An L-proline derivative that is the ester obtained by formal condensation of the carboxy group of L-proline with the 3-hydroxy group of AMP.
Tetramethylrhodamine thiocyanate cation
C25H22N3O3S+ (444.1381802000001)
N-(5-methyl-1H-pyrazol-3-yl)-2-[[3-oxo-2-(phenylmethyl)-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetamide
4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
C22H21ClN2O4S (444.0910496000001)
3-[(4Z)-5-oxo-3-phenyl-4-[(4-phenylphenyl)methylidene]pyrazol-1-yl]benzoic acid
7-[(4-Fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione
3-[2,2-Dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea
C24H23Cl2FN2O (444.11713799999995)
1-Butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide
2-[4-chloro-5-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide
C17H21ClN4O4S2 (444.06926960000004)
4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzamide
C21H21BrN2O4 (444.06846060000004)
3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid
C14H25N2O10PS (444.09674800000005)
1-(4-Methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane
N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide
8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide
N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide
C21H17ClN2O5S (444.05466620000004)
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
(oxiran-2-yl)methyl 2-{6-[(oxiran-2-yl)methoxy]-3-oxo-3H-xanthen-9-yl}benzoate
3-[2-[(E)-[1-[2-(2-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
6-[3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside
BMS-687453
C22H21ClN2O6 (444.10880760000003)
BMS-687453 is a potent and selective PPARα agonist, with an EC50 and IC50 of 10 nM and 260 nM for human PPARα and 4100 nM and >15000 nM for PPARγ in PPAR-GAL4 transactivation assays.
CCG-222740
C23H19ClF2N2O3 (444.1052198000001)
CCG-222740 is an orally active and selective Rho/myocardin-related transcription factor (MRTF) pathway inhibitor[1]. CCG-222740 is also a potent inhibitor of alpha-smooth muscle actin protein expression. CCG-222740 effectively reduces fibrosis in skin and blocks melanoma metastasis[2].
JNJ-37822681 (dihydrochloride)
JNJ-37822681 dihydrochloride is a potent, specific, centrally active, fast-dissociating dopamine D2 receptor antagonist with a moderate binding affinity for the dopamine D2L receptor (Ki =158 nM), which has potential for the treatment of schizophrenia and bipolar disorder[1][2].
VU0467154
C17H15F3N4O3S2 (444.05376359999997)
VU0467154 is a positive allosteric modulator of the M4 muscarinic acetylcholine receptor (mAChR), potentiating the response to ACh with pEC50s of 7.75, 6.2 and 6 for rat, human and cynomolgus monkey M4 receptor, respectively.