Exact Mass: 245.0735
Exact Mass Matches: 245.0735
Found 500 metabolites which its exact mass value is equals to given mass value 245.0735,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Haplopine
Haplopine is an oxacycle, an organonitrogen heterocyclic compound and an organic heterotricyclic compound. Haplopine is a natural product found in Haplophyllum bucharicum, Haplophyllum cappadocicum, and other organisms with data available.
CHLORPHENESIN CARBAMATE
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Asparaginylhydroxyproline
Asparaginylhydroxyproline is a dipeptide composed of asparagine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Hydroxyprolyl-Asparagine
Hydroxyprolyl-Asparagine is a dipeptide composed of hydroxyproline and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
N-Phenylacetyl pyroglutamic acid
N-Phenylacetyl pyroglutamic acid belongs to the family of Phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
5'-Deoxy-5-fluorocytidine
5-Deoxy-5-fluorocytidine is a metabolite of capecitabine. Capecitabine (Xeloda, Roche) is an orally-administered chemotherapeutic agent used in the treatment of metastatic breast and colorectal cancers. Capecitabine is a prodrug, that is enzymatically converted to 5-fluorouracil in the tumor, where it inhibits DNA synthesis and slows growth of tumor tissue. (Wikipedia)
Lamivudine sulfoxide
Lamivudine sulfoxide is a metabolite of nitazoxanide. Nitazoxanide, also known by the brand names Alinia and Annita (and by Daxon, Dexidex, Kidonax, Mitafar, Pacovanton, and Paramix in Mexico, by Nitax, Zox, Nitazox, Niazid and Toza in Bangladesh) is a synthetic nitrothiazolyl-salicylamide derivative and an antiprotozoal agent. Nitazoxanide is a light yellow crystalline powder. It is poorly soluble in ethanol and practically insoluble in water. (Wikipedia)
OR-1896
OR-1896 is a metabolite of levosimendan. Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It is marketed under the trade name Simdax. (Wikipedia)
5-Fluoro-2'-deoxycytidine
2'-Deoxy-2'-fluorocytidine
3-Aminobenzanthrone
3'-thiacytidine
6-Azauridine
N-[4-(4-Methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
1-Pyrrolidinecarboxaldehyde, 3-(1,3-benzodioxol-5-ylmethylene)-2-oxo-
(1R,2S,3R)-1-[(2E)-2-(1-Nitrosoethylidene)-1,3-dihydroimidazol-4-yl]butane-1,2,3,4-tetrol
4-(E)-Ethyl-2-((E)-hydroxyimino)-5-nitro-3-hexeneamide
5-DFCR (Deoxy-5-fluorocytidine)
1-Cyano-N-[4-(trifluoromethoxy)phenyl]formohydrazide
N-Hexamethylene N',N'-diethylene thiophosphoramide
L-Tyrosine ethyl ester hydrochloride
It is used as a food additive .
indole-3-acetyl-alanine
Indole-3-acetyl-alanine is also known as iaa-ala. Indole-3-acetyl-alanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-alanine can be found in a number of food items such as yellow pond-lily, bean, black cabbage, and italian sweet red pepper, which makes indole-3-acetyl-alanine a potential biomarker for the consumption of these food products.
4-Acetamidoantipyrin
A member of the class of pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole. CONFIDENCE standard compound; INTERNAL_ID 2001 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1010 CONFIDENCE standard compound; INTERNAL_ID 4082 CONFIDENCE standard compound; EAWAG_UCHEM_ID 236
2-(Hydroxysulfanyl)hercynine; Nalpha,Nalpha,Nalpha-Trimethyl-2-(hydroxysulfanyl)-L-histidine; 2-Sulfenohercynine
3-(3-phenylpropanoyl)-7-oxa-3-aza-bicyclo[4.1.0]heptan-2-one|kaousine
3-hydroxy-4-methoxy-[2,2]bipyridinyl-6-carbaldehyde oxime|Caerulomycin B
Acetic acid [2,3-dimethyl-4-oxoquinolin-1(4H)-yl]methyl ester
5-(1H-indol-3-yl)-5-methoxyimidazolidine-2,4-dione
2-(((3,4,5)-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxymethyl)acrylonitrile
3-(4-hydroxyphenyl)-4-isobutyl-1h-pyrrole-2,5-dione
6-AZAURIDINE
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2170 - Orotidylate Decarboxylase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D003879 - Dermatologic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.055 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 6-Azuridine (6-Azauridine) is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
2,3-Dihydro-6-Methoxy-4-Methyl-2-Hydroxyethylfuro[3,2-c]quinoline
FEN_246.1101_16.1
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 604
C12H11N3O3_[2,2-Bipyridine]-6-carboxamide, 3-hydroxy-4-methoxy
4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid
1H-Imidazole-4-carboxylicacid,5-[[(3-methylphenyl)amino]carbonyl]-(9CI)
4-(2-(Dimethylamino)ethoxy)benzoic acid hydrochloride
2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
ethyl 5-(4-aminophenyl)-2-methylfuran-3-carboxylate
8-(isocyanatomethyl)-[1,3]dioxolo[4,5-g]chromen-6-one
6-METHOXY-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
2-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid
5-[(THIOPHEN-2-YLMETHYL)-AMINO]-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
(R)-3-METHYL-1-(3-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE
ethyl 4-hydroxy-2-pyridin-4-ylpyrimidine-5-carboxylate
ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
6-BENZYL-4-CHLORO-6,7-DIHYDRO-5H-PYRROLO[3,4-D]PYRIMIDINE
R-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
Benzoicacid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, ethyl ester
(6-FLUORO-4-(TRIFLUOROMETHYL)QUINOLIN-2-YL)METHANOL
1-Naphthalenecarboxylicacid, 5-nitro-, ethyl ester
2-(METHYLTHIO)-4-(PHENYLAMINO)PYRIMIDINE-5-CARBALDEHYDE
methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate
Benzenepropanoic acid, a-(2-cyanoethyl)-b-oxo-, ethyl ester
3-(2-HYDROXY-4,6-DIMETHYL-QUINOLIN-3-YL)-PROPIONIC ACID
5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol,hydrochloride
alpha-methyl-dl-tyrosine methyl ester hydrochloride
α-Methyltyrosine methyl ester hydrochloride is a competitive tyrosine hydroxylase inhibitor that inhibits the conversion of tyrosine to dopamine. α-Methyltyrosine methyl ester hydrochloride can be used as a tool for sympathetic nervous system research[1].
5-(Acetylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid
Benzyl 2-methyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
Ribavirin Carboxylic Acid
A 1-ribosyltriazole that is ribavirin in which the carbamoyl group at position 3 is replaced by a carboxy group. It is a catabolite and impurity of ribavirin. Ribavirin carboxylic acid (TR-COOH) is a metabolite of Ribavirin (HY-B0434), Ribavirin has strong antiviral activity[1].
METHYL 2-HYDROXY-4-ISOPROPYL-3-QUINOLINECARBOXYLATE
8-Methoxy-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
METHYL 1-(4-METHOXYBENZYL)-1H-PYRROLE-2-CARBOXYLATE
3-AMINO-3-(2-METHOXY-NAPHTHALEN-1-YL)-PROPIONIC ACID
3-AMINO-3-(3-CHLORO-4-HYDROXY-5-METHOXY-PHENYL)-PROPIONIC ACID
2,2-dimethyl-2,3-dihydro-1H,10H-phenothiazin-4-one
5-HYDRAZINOCARBONYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID PHENYLAMIDE
4-AMINO-2-BENZYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
2-Deoxy-5-fluorcytidine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite 5-Fluoro-2'-deoxycytidine, a fluoropyrimidine nucleoside analogue, is a DNA methyltransferase (DNMT) inhibitor. 5-Fluoro-2'-deoxycytidine is a tumor-selective proagent of the potent thymidylate synthase inhibitor 5-fluoro-2′-dUMP[1][2].
1-(4-methoxyphenyl)-2-(trifluoromethyl)pyrrolidine
METHYL 4-(N-CYCLOPROPYLAMINOCARBONYL)CUBANECARBOXYLATE
Flumetramide
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
4-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
(6-METHYL-1H-BENZIMIDAZOL-2-YL)METHOXY]-ACETIC ACID
METHYL 2-BENZOYL-2-AZABICYCLO[2.1.1]HEXANE-1-CARBOXYLATE
5(4H)-Oxazolone,2-(2-acetylphenyl)-4-(1-methylethyl)-
1H-Imidazole-4-carboxylicacid,5-[[(3-methylphenyl)amino]carbonyl]-,
(4-chloro-2-fluoro-phenyl)-carbaMic acid tert-butyl ester
2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-2-cyano-, ethyl ester
N-(2,2-DIMETHYLPROPANOYL)-3-(TRIFLUOROMETHYL)ANILINE
4-CHLORO-9-METHYL-2,9-DIHYDRO-1H-CARBAZOLE-3-CARBALDEHYDE
ethyl 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylate
ETHYL 4-HYDROXY-7,8-DIMETHYLQUINOLINE-3-CARBOXYLATE
2-(2-Dimethylamino-ethoxy)-benzoic acid hydrochloride
7-Methoxy-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
4-HYDROXY-6,8-DIMETHYLQUINOLINE-3-CARBOXYLICETHYLESTER
5-[(Ethoxycarbonyl)amino]-1,2,4-thiadiazole-3-acetic acid methyl ester
METHYL [5-METHYL-2-(4-METHYLPHENYL)-1,3-OXAZOL-4-YL]ACETATE
5(4H)-Oxazolone,2-phenyl-4-(tetrahydro-2H-pyran-4-yl)-
3-amino-3-(4-methoxynaphthalen-1-yl)propanoic acid
5-BENZYL-4,5,6,7-TETRAHYDRO-THIAZOLO[5,4-C]PYRIDIN-2-YLAMINE
1-METHYL-4-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE
(S)-4-METHYL-3-(4-TRIFLUOROMETHYLPHENYL)OXAZOLIDIN-2-ONE
6-Methoxy-7-nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
benzyl 3-oxa-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
ethyl 4-hydroxy-2-(2-pyridinyl)-5-pyrimidinecarboxylate
methyl 6-amino-deoxy-galactoyranoside hydrochloride
2-(3-(4-CYANOPHENYL)-2-OXOIMIDAZOLIDIN-1-YL)ACETIC ACID
5-AZIDO-5-DEOXY-1,2-O-ISOPROPYLIDENE-BETA-D-FRUCTOSE
4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE
4-(4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine
4-(6-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine
5,6-Dihydro-4H-thieno[3,2-d][1]benzazepine-2-carboxylicacid
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetic acid
(Z)-methyl 3-amino-4-(2,4,5-trifluorophenyl)but-2-enoate
(3-(N-(2-Hydroxyethyl)sulfamoyl)phenyl)boronic acid
(2-AMINO-4-(ETHOXYCARBONYL)PHENYL)BORONIC ACID HYDROCHLORIDE
1-(3,4-DIMETHOXYPHENYL)-2-(METHYLAMINO)ETHANONE HYDROCHLORIDE
1-(6-METHOXY-7-METHYL-6H-[1,2,5]OXADIAZOLO[3,4-E]INDOL-8-YL)ETHANONE
2-Deoxy-2-fluorocytidine
2'-Deoxy-2'-fluorocytidine, an nucleoside analog, is a potent inhibitor of Crimean-Congo hemorrhagic fever virus (CCHFV) replication. 2′-deoxy-2′-fluorocytidine can act synergistically with T705 to increase the potency of both compounds antiviral effects on CCHFV replication[1].
3-Benzyl-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine
2-(2-ETHYL-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
4-hydroxy-5,8-dimethyl-quinoline-3-carboxylic acid ethyl ester
(3S,4R)-4-(4-Fluorophenyl)piperidine-3-Methanol Hydrochloride
4-Amino-1-[(2S,5R)-2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone
(R)-1-(6-Chloro-2-methylsulfanyl-pyrimidin-4-yl)-pyrrolidin-3-ol
1-[4-(3-METHYL[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL)PHENYL]METHANAMINE
(4R)-2-(2,5-Difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
(S)-1-(6-Chloro-2-methylsulfanyl-pyrimidin-4-yl)-pyrrolidin-3-ol
METHYL (3S)-3-AMINO-3-(2-METHOXYPHENYL)PROPANOATE HYDROCHLORIDE
6-HYDROXY-7,8,9,10-TETRAHYDRO-6H-[1,2,5]OXADIAZOLO[4,3-C]CARBAZOL-3-IUM-3-OLATE
4-HYDROXY-7-METHOXY-6-NITROQUINOLINE-3-CARBONITRILE
1,8-diamino-3,6-dimethoxy-2,7-naphthyridine-4-carbonitrile
3-amino-1,2-benzene dicarboxylic acid,1-ethylester
Benzamide, N-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)- (9CI)
3-[(FURAN-2-CARBONYL)-AMINO]-2-METHYL-BENZOIC ACID
(3-((FURAN-2-YLMETHYL)CARBAMOYL)PHENYL)BORONIC ACID
N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N,N-dimethylamine
5-(3-ACETYLAMINOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
ETHYL 1,6-DIHYDRO-6-OXO-2-(3-PYRIDINYL)-5-PYRIMIDINECARBOXYLATE
7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid
4-CHLORO-2-(1-METHYL-4-PIPERAZINYL)-5-THIAZOLECARBOXALDEHYDE
6-(4-METHOXY-PHENYL)-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
3-(5-(4-METHOXYPHENYL)-1H-PYRROL-2-YL)PROPANOIC ACID
4-HYDROXY-5,7-DIMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(4-ETHYLPHENYL)-,ETHYL ESTER
1-(4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime
Centanafadine Hydrochloride
C78272 - Agent Affecting Nervous System Centanafadine (hydrochloride) is dual norepinephrine (NE)/dopamine (DA) transporter inhibitor, also inhibits serotonin transporter, with IC50s of 6 nM, 38 nM and 83 nM for human NE, DA and serotonin transporter , respectively.
1-Pyrrolidinecarboxaldehyde, 3-(1,3-benzodioxol-5-ylmethylene)-2-oxo-
4-nitro-3-(1H-pyrazol-4-yl)-5-(4-pyrazolylidene)-1,2-dihydropyrazole
4-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
Glycine, N-[N-(N-acetylglycyl)glycyl]-, methyl ester
N-[5-Hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxo-1-cyclohexen-1-yl]glycine
2-[2-(3,4-Dihydroxyphenyl)ethenyl]-6-hydroxy-pyran-4-one
(4R)-2-(1H-indol-3-yl)-4,5-dihydrothiazole-4-carboxylate
6-[2-Oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoate
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-2-methylpropyl]amino}-5-oxopentanoate
(E,2Z)-4-ethyl-2-hydroxyimino-6-methoxy-5-nitrohex-3-enamide
4-amino-1-[4-hydroxy-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
1-Amino-3-(4-chloro-2-methoxy-5-methylphenyl)thiourea
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide
9-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
N-(1,3-benzodioxol-5-yl)-2-methyl-3-pyrazolecarboxamide
2-(Methylthio)-4-phenyl-6-propan-2-yl-1,3,5-triazine
2-[(2-Furanylmethylthio)methyl]imidazo[1,2-a]pyrimidine
4-[(3-Fluoro-4-methylanilino)methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid
2-[2-Oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethoxy]acetic acid
2-(4-amino-2,6-dichloroanilino)-4,5-dihydro-1H-imidazol-1-ium
2-[(E)-(3-methyl-4-oxonaphthalen-1-ylidene)amino]oxyacetic acid
(3E)-5-ethyl-3-[(N-methylanilino)methylidene]thiophen-2-one
3-amino-8-methoxy-2-methyl-5H-pyrimido[5,4-b]indol-1-ium-4-one
Methanol, (2,3-dihydro-6-methoxy-4-methyl-2-furo[3,2-c]quinolinyl)-
4-(2-amino-5-oxoimidazol-4-yl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
gamma-Glu-Val(1-)
A peptide anion that is the conjugate base of gamma-Glu-Val, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
1-(2,4-Diamino-4-oxobutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
N-acetyl-L-tryptophanate
A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tryptophan, obtained by the deprotonation of the carboxy group; major species at pH 7.3.
hispidin(1-)
An organic anion that is the conjugate base of hispidin resulting from the deprotonation of the 4-hydroxy group; major species at pH 7.3.
N-acetyltryptophanate
A monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of N-acetyltryptophan.
LY367385 (hydrochloride)
LY367385 hydrochloride is a highly selective and potent mGluR1a antagonist. LY367385 hydrochloride has an IC50 of 8.8 μM for inhibiting of quisqualate-induced phosphoinositide (PI) hydrolysis, compared with >100 μM for mGlu5a. LY367385 hydrochloride has neuroprotective, anticonvulsant and antiepileptic effects[1][2].
