Exact Mass: 152.0096

Exact Mass Matches: 152.0096

Found 130 metabolites which its exact mass value is equals to given mass value 152.0096, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Mercaptopurine

GlaxoSmithKline brand OF 6 mercaptopurine

C5H4N4S (152.0157)


Mercaptopurine is only found in individuals that have used or taken this drug. It is an antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia. [PubChem]Mercaptopurine competes with hypoxanthine and guanine for the enzyme hypoxanthine-guanine phosphoribosyltransferase (HGPRTase) and is itself converted to thioinosinic acid (TIMP). This intracellular nucleotide inhibits several reactions involving inosinic acid (IMP), including the conversion of IMP to xanthylic acid (XMP) and the conversion of IMP to adenylic acid (AMP) via adenylosuccinate (SAMP). In addition, 6-methylthioinosinate (MTIMP) is formed by the methylation of TIMP. Both TIMP and MTIMP have been reported to inhibit glutamine-5-phosphoribosylpyrophosphate amidotransferase, the first enzyme unique to the de novo pathway for purine ribonucleotide synthesis. Experiments indicate that radiolabeled mercaptopurine may be recovered from the DNA in the form of deoxythioguanosine. Some mercaptopurine is converted to nucleotide derivatives of 6-thioguanine (6-TG) by the sequential actions of inosinate (IMP) dehydrogenase and xanthylate (XMP) aminase, converting TIMP to thioguanylic acid (TGMP). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

   

1,1,1,3,3,3-Hexafluoropropane

1,1,1,3,3,3-Hexafluoropropane

C3H2F6 (152.0061)


   

Benzodioxaphosphorin

1,2,3-benzodioxaphosphinine

C7H5O2P (152.0027)


   

Ethylene glycol dinitrate

2-(Nitrooxy)ethyl nitric acid

C2H4N2O6 (152.0069)


   

9-Sulfanylpurine

9-Sulphanylpurine

C5H4N4S (152.0157)


   

N-methylethanolamine phosphate

N-Methylethanolamine phosphoric acid

C3H7NO4P (152.0113)


N-methylethanolamine phosphate is soluble (in water) and an extremely strong acidic compound (based on its pKa). N-methylethanolamine phosphate can be found in a number of food items such as sour cherry, garland chrysanthemum, swiss chard, and winged bean, which makes N-methylethanolamine phosphate a potential biomarker for the consumption of these food products.

   

(4-chloro-phenyl)-carbamonitrile|(4-chlorophenyl)cyanamide|4-chlorophenyl cyanamide|4-chlorophenylcyanamide|4-Cl-pcyd-H|4-ClpcydH|N-(4-chlorophenyl)cyanamide

(4-chloro-phenyl)-carbamonitrile|(4-chlorophenyl)cyanamide|4-chlorophenyl cyanamide|4-chlorophenylcyanamide|4-Cl-pcyd-H|4-ClpcydH|N-(4-chlorophenyl)cyanamide

C7H5ClN2 (152.0141)


   

mercaptopurine

6-Mercaptopurine

C5H4N4S (152.0157)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2786 KEIO_ID M054

   

6-Mercaptopurine

6-Mercaptopurine

C5H4N4S (152.0157)


   

2-Mercaptopurine

2H-Purine-2-thione,3,9-dihydro-

C5H4N4S (152.0157)


   
   

Tisopurine

4H-Pyrazolo[3,4-d]pyrimidine-4-thione,1,5-dihydro-

C5H4N4S (152.0157)


M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor C26170 - Protective Agent > C921 - Uricosuric Agent

   

1,4-dichlorocyclohexane

1,4-dichlorocyclohexane

C6H10Cl2 (152.016)


   

4-amino-2-mercaptopyrimidine-5-carbonitrile

4-amino-2-mercaptopyrimidine-5-carbonitrile

C5H4N4S (152.0157)


   

3-(Methylsulfonyl)propanoic acid

3-(Methylsulfonyl)propanoic acid

C4H8O4S (152.0143)


   

Thieno[2,3-d]pyrimidin-4(3H)-one

Thieno[2,3-d]pyrimidin-4(3H)-one

C6H4N2OS (152.0044)


   

2-Amino-6-chlorobenzonitrile

2-Amino-6-chlorobenzonitrile

C7H5ClN2 (152.0141)


   

7-Chloro-1H-pyrrolo[3,2-c]pyridine

7-Chloro-1H-pyrrolo[3,2-c]pyridine

C7H5ClN2 (152.0141)


   

Propane,1,1,1,2,2,3-hexafluoro-

Propane,1,1,1,2,2,3-hexafluoro-

C3H2F6 (152.0061)


   

7-Chloroimidazo[1,2-a]pyridine

7-Chloroimidazo[1,2-a]pyridine

C7H5ClN2 (152.0141)


   

1-chlorobenzimidazole

1-chlorobenzimidazole

C7H5ClN2 (152.0141)


   

5-Chloroimidazo[1,2-a]Pyridine

5-Chloroimidazo[1,2-a]Pyridine

C7H5ClN2 (152.0141)


   

4-Chloro-1H-pyrrolo[2,3-b]pyridine

4-Chloro-1H-pyrrolo[2,3-b]pyridine

C7H5ClN2 (152.0141)


   

6-Chloro-7-azaindole

6-Chloro-7-azaindole

C7H5ClN2 (152.0141)


   

cis-1,2-dichlorocyclohexane

cis-1,2-dichlorocyclohexane

C6H10Cl2 (152.016)


   

5-(3-THIENYL)-2H-1,2,3,4-TETRAZOLE

5-(3-THIENYL)-2H-1,2,3,4-TETRAZOLE

C5H4N4S (152.0157)


   

(6-Chloro-3-pyridinyl)acetonitrile

(6-Chloro-3-pyridinyl)acetonitrile

C7H5ClN2 (152.0141)


   

2-Chloro-pyrazolo[1,5-a]pyridine

2-Chloro-pyrazolo[1,5-a]pyridine

C7H5ClN2 (152.0141)


   

5-Chloro-4-azaindole

5-Chloro-4-azaindole

C7H5ClN2 (152.0141)


   

8-Mercaptopurine

8-Mercaptopurine

C5H4N4S (152.0157)


   

3-Chloro-1H-indazole

3-Chloro-1H-indazole

C7H5ClN2 (152.0141)


   

5-Chloro-1H-benzimidazole

5-Chloro-1H-benzimidazole

C7H5ClN2 (152.0141)


   

3-Chloro-1H-pyrrolo[3,2-c]pyridine

3-Chloro-1H-pyrrolo[3,2-c]pyridine

C7H5ClN2 (152.0141)


   

6-chloro-1-benzofuran

6-chloro-1-benzofuran

C8H5ClO (152.0029)


   

2-(5-chloropyridin-2-yl)acetonitrile

2-(5-chloropyridin-2-yl)acetonitrile

C7H5ClN2 (152.0141)


   

6-Chloroimidazo[1,2-a]pyridine

6-Chloroimidazo[1,2-a]pyridine

C7H5ClN2 (152.0141)


   

2-ethylsulfonylacetic acid

2-ethylsulfonylacetic acid

C4H8O4S (152.0143)


   

Thiazolo[5,4-b]pyridin-2(1H)-one

Thiazolo[5,4-b]pyridin-2(1H)-one

C6H4N2OS (152.0044)


   

Thiazolo[4,5-b]pyridin-2(3H)-one

Thiazolo[4,5-b]pyridin-2(3H)-one

C6H4N2OS (152.0044)


   

6-Chloro-1H-indazole

6-Chloro-1H-indazole

C7H5ClN2 (152.0141)


   

4-chlorobenzofuran

4-chlorobenzofuran

C8H5ClO (152.0029)


   

4-Amino-2-chlorobenzonitrile

4-Amino-2-chlorobenzonitrile

C7H5ClN2 (152.0141)


   

Ethanethioic acid,S-(3-chloropropyl) ester

Ethanethioic acid,S-(3-chloropropyl) ester

C5H9ClOS (152.0063)


   

4-Chloro-1H-pyrrolo[3,2-c]pyridine

4-Chloro-1H-pyrrolo[3,2-c]pyridine

C7H5ClN2 (152.0141)


   

Oxazolo[4,5-b]pyridine-2-thiol

Oxazolo[4,5-b]pyridine-2-thiol

C6H4N2OS (152.0044)


   

5-Chloro-7-azaindole

5-Chloro-7-azaindole

C7H5ClN2 (152.0141)


   

3-chloro-1H-pyrrolo[3,2-b]pyridine

3-chloro-1H-pyrrolo[3,2-b]pyridine

C7H5ClN2 (152.0141)


   

Methyl Methanesulfonylacetate

Methyl Methanesulfonylacetate

C4H8O4S (152.0143)


   

5-Chloroindazole

5-Chloroindazole

C7H5ClN2 (152.0141)


   

3-Chloro-7-azaindole

3-Chloro-7-azaindole

C7H5ClN2 (152.0141)


   

2-Chloro-6-methylnicotinonitrile

2-Chloro-6-methylnicotinonitrile

C7H5ClN2 (152.0141)


   

Potassium trifluoro(methoxymethyl)borate(1-)

Potassium trifluoro(methoxymethyl)borate(1-)

C2H5BF3KO (152.0023)


   

6-(Chloromethyl)nicotinonitrile

6-(Chloromethyl)nicotinonitrile

C7H5ClN2 (152.0141)


   

2-(2-chloropyridin-4-yl)acetonitrile

2-(2-chloropyridin-4-yl)acetonitrile

C7H5ClN2 (152.0141)


   

Imidazo[2,1-b][1,3]thiazole-2-carbaldehyde

Imidazo[2,1-b][1,3]thiazole-2-carbaldehyde

C6H4N2OS (152.0044)


   

2H-Tetrazole,5-(2-thienyl)-

2H-Tetrazole,5-(2-thienyl)-

C5H4N4S (152.0157)


   

7-Chloro-4-azaindole

7-Chloro-4-azaindole

C7H5ClN2 (152.0141)


   

tetrafluoropyridazine

tetrafluoropyridazine

C4F4N2 (151.9998)


   

2-Chloro-5-methylnicotinonitrile

2-Chloro-5-methylnicotinonitrile

C7H5ClN2 (152.0141)


   

thieno[3,2-d]pyrimidin-4-ol

Thieno[3,2-d]pyrimidin-4(3H)-one

C6H4N2OS (152.0044)


   

4-chloro-1H-pyrrolo[2,3-c]pyridine

4-chloro-1H-pyrrolo[2,3-c]pyridine

C7H5ClN2 (152.0141)


   

(2-Chloro-3-pyridinyl)acetonitrile

(2-Chloro-3-pyridinyl)acetonitrile

C7H5ClN2 (152.0141)


   

Oxazolo[4,5-b]pyridine-2(3H)-thione

Oxazolo[4,5-b]pyridine-2(3H)-thione

C6H4N2OS (152.0044)


   

6-CHLORO-4-METHYLNICOTINONITRILE

6-CHLORO-4-METHYLNICOTINONITRILE

C7H5ClN2 (152.0141)


   

3-Amino-4-chlorobenzonitrile

3-Amino-4-chlorobenzonitrile

C7H5ClN2 (152.0141)


   

3-(chloromethyl)pyridine-2-carbonitrile

3-(chloromethyl)pyridine-2-carbonitrile

C7H5ClN2 (152.0141)


   

4-(chloromethyl)pyridine-2-carbonitrile

4-(chloromethyl)pyridine-2-carbonitrile

C7H5ClN2 (152.0141)


   

3-Amino-5-chlorobenzonitrile

3-Amino-5-chlorobenzonitrile

C7H5ClN2 (152.0141)


   

Thiazolo[4,5-d]pyrimidine,2-amino- (5CI)

Thiazolo[4,5-d]pyrimidine,2-amino- (5CI)

C5H4N4S (152.0157)


   

Thiazolo[4,5-c]pyridin-2-ol (5CI)

Thiazolo[4,5-c]pyridin-2-ol (5CI)

C6H4N2OS (152.0044)


   

3-CHLOROIMIDAZO[1,2-A]PYRIDINE

3-CHLOROIMIDAZO[1,2-A]PYRIDINE

C7H5ClN2 (152.0141)


   

trans-1,2-Dichlorocyclohexane

trans-1,2-Dichlorocyclohexane

C6H10Cl2 (152.016)


   

6-Chloro-1H-pyrrolo[3,2-b]pyridine

6-Chloro-1H-pyrrolo[3,2-b]pyridine

C7H5ClN2 (152.0141)


   

[1,3]Thiazolo[5,4-d]pyrimidin-2-amine

[1,3]Thiazolo[5,4-d]pyrimidin-2-amine

C5H4N4S (152.0157)


   

2-Chloro-5-cyano-3-picoline

2-Chloro-5-cyano-3-picoline

C7H5ClN2 (152.0141)


   

IMIDAZO[2,1-B]THIAZOLE-6-CARBALDEHYDE

IMIDAZO[2,1-B]THIAZOLE-6-CARBALDEHYDE

C6H4N2OS (152.0044)


   

6-chloro-2-methylnicotinonitrile

6-chloro-2-methylnicotinonitrile

C7H5ClN2 (152.0141)


   

Isothiazolo[4,5-b]pyrazin-3-amine

Isothiazolo[4,5-b]pyrazin-3-amine

C5H4N4S (152.0157)


   

7-Chloro-1H-pyrrolo[2,3-c]pyridine

7-Chloro-1H-pyrrolo[2,3-c]pyridine

C7H5ClN2 (152.0141)


   

2-Chloro-4-methylpyridine-3-carbonitrile

2-Chloro-4-methylpyridine-3-carbonitrile

C7H5ClN2 (152.0141)


   

1-Chloropyrrolo[1,2-a]pyrazine

1-Chloropyrrolo[1,2-a]pyrazine

C7H5ClN2 (152.0141)


   

4-(chloromethyl)pyridine-3-carbonitrile

4-(chloromethyl)pyridine-3-carbonitrile

C7H5ClN2 (152.0141)


   

7-chloro-1H-indazole

7-chloro-1H-indazole

C7H5ClN2 (152.0141)


   

1,2-DIMETHYL-1H-INDOL-5-YLAMINE

1,2-DIMETHYL-1H-INDOL-5-YLAMINE

C4F4N2 (151.9998)


   

2-Chlorobenzimidazole

2-Chlorobenzimidazole

C7H5ClN2 (152.0141)


   

5-Chloro-3-ethynylpyridin-2-amine

5-Chloro-3-ethynylpyridin-2-amine

C7H5ClN2 (152.0141)


   

5-Fluoro-1-benzothiophene

5-Fluoro-1-benzothiophene

C8H5FS (152.0096)


   

3-Chlorobenzofuran

3-Chlorobenzofuran

C8H5ClO (152.0029)


   

6-Chloro-3-Methylpicolinonitrile

6-Chloro-3-Methylpicolinonitrile

C7H5ClN2 (152.0141)


   

6-CHLORO-5-METHYLPICOLINONITRILE

6-CHLORO-5-METHYLPICOLINONITRILE

C7H5ClN2 (152.0141)


   

1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-THIOL

1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-THIOL

C5H4N4S (152.0157)


   

3-CHLORO-6-METHYLPICOLINONITRILE

3-CHLORO-6-METHYLPICOLINONITRILE

C7H5ClN2 (152.0141)


   

(3-Chloro-4-pyridinyl)acetonitrile

(3-Chloro-4-pyridinyl)acetonitrile

C7H5ClN2 (152.0141)


   

4-Amino-3-chlorobenzonitrile

4-Amino-3-chlorobenzonitrile

C7H5ClN2 (152.0141)


   

2-Amino-5-chlorobenzonitrile

2-Amino-5-chlorobenzonitrile

C7H5ClN2 (152.0141)


   

6-CHLORO-4-METHYLPICOLINONITRILE

6-CHLORO-4-METHYLPICOLINONITRILE

C7H5ClN2 (152.0141)


   

7-FLUOROBENZO[B]THIOPHENE

7-FLUOROBENZO[B]THIOPHENE

C8H5FS (152.0096)


   

8-Chloroimidazo[1,2-a]pyridine

8-Chloroimidazo[1,2-a]pyridine

C7H5ClN2 (152.0141)


   

3-Amino-2-chlorobenzonitrile

3-Amino-2-chlorobenzonitrile

C7H5ClN2 (152.0141)


   

6-(Chloromethyl)-2-cyanopyridine

6-(Chloromethyl)-2-cyanopyridine

C7H5ClN2 (152.0141)


   

5-Chloro-1H-pyrrolo[2,3-c]pyridine

5-Chloro-1H-pyrrolo[2,3-c]pyridine

C7H5ClN2 (152.0141)


   

6-Chloro-5-Azaindole

6-Chloro-5-Azaindole

C7H5ClN2 (152.0141)


   

1,1,2,2,3,3-hexafluoropropane

1,1,2,2,3,3-hexafluoropropane

C3H2F6 (152.0061)


   

6-FLUOROBENZO[B]THIOPHENE

6-FLUOROBENZO[B]THIOPHENE

C8H5FS (152.0096)


   

s-sec-butyl chlorothioformate

s-sec-butyl chlorothioformate

C5H9ClOS (152.0063)


   

S-butyl chloromethanethioate

S-butyl chloromethanethioate

C5H9ClOS (152.0063)


   

Thiazolo[5,4-d]pyrimidin-7-amine

Thiazolo[5,4-d]pyrimidin-7-amine

C5H4N4S (152.0157)


   

4-Chloro-1H-indazole

4-Chloro-1H-indazole

C7H5ClN2 (152.0141)


   

4-chloro-6-methylnicotinonitrile

4-chloro-6-methylnicotinonitrile

C7H5ClN2 (152.0141)


   

trans-1,4-dichlorocyclohexane

trans-1,4-dichlorocyclohexane

C6H10Cl2 (152.016)


   

2-Amino-4-Chlorobenzonitrile

2-Amino-4-Chlorobenzonitrile

C7H5ClN2 (152.0141)


   

1,1,1,2,3,3-hexafluoropropane

1,1,1,2,3,3-hexafluoropropane

C3H2F6 (152.0061)


   

s-tert-butyl chlorothioformate

s-tert-butyl chlorothioformate

C5H9ClOS (152.0063)


   

S-(2-methylpropyl) chloromethanethioate

S-(2-methylpropyl) chloromethanethioate

C5H9ClOS (152.0063)


   

5-(Trifluoromethyl)furan-2(5H)-one

5-(Trifluoromethyl)furan-2(5H)-one

C5H3F3O2 (152.0085)


   

[1,3]Thiazolo[4,5-c]pyridin-4(5H)-one

[1,3]Thiazolo[4,5-c]pyridin-4(5H)-one

C6H4N2OS (152.0044)


   

4-Chloro-2-cyano-6-methylpyrimidine

4-Chloro-2-cyano-6-methylpyrimidine

C7H5ClN2 (152.0141)


   

2-(Chloromethyl)nicotinonitrile

2-(Chloromethyl)nicotinonitrile

C7H5ClN2 (152.0141)


   

5-Amino-2-chlorobenzonitrile

5-Amino-2-chlorobenzonitrile

C7H5ClN2 (152.0141)


   

(6-Chloro-2-pyridinyl)acetonitrile

(6-Chloro-2-pyridinyl)acetonitrile

C7H5ClN2 (152.0141)


   

2-Amino-3-chlorobenzonitrile

2-Amino-3-chlorobenzonitrile

C7H5ClN2 (152.0141)


   

4-FLUOROBENZO[B]THIOPHENE

4-FLUOROBENZO[B]THIOPHENE

C8H5FS (152.0096)


   

5-chloro-2-ethynylpyridin-3-amine

5-chloro-2-ethynylpyridin-3-amine

C7H5ClN2 (152.0141)


   

Cysteine sulfinate

Cysteine sulfinate

C3H6NO4S- (152.0018)


   

2-N-acetamidomethylphosphonate

2-N-acetamidomethylphosphonate

C3H7NO4P- (152.0113)


   

Dithiobis(diaminomethylium)

Dithiobis(diaminomethylium)

C2H8N4S2+2 (152.019)


   

L-cysteine-S-dioxide

L-cysteine-S-dioxide

C3H6NO4S- (152.0018)


   

3-sulfino-L-alanine(1-)

3-sulfino-L-alanine(1-)

C3H6NO4S (152.0018)


An alpha-amino-acid anion that is the conjugate base of 3-sulfino-L-alanine, arising from deprotonation of the sulfino and carboxy groups and protonation of the amino group; major species at pH 7.3.

   

5,6-dioxocyclohexa-1,3-diene-1-carboxylic acid

5,6-diketocyclohexa-1,3-diene-1-carboxylic acid; 5,6-dioxo-1-cyclohexa-1,3-dienecarboxylic acid

C7H4O4 (152.011)


{"Ingredient_id": "HBIN011151","Ingredient_name": "5,6-dioxocyclohexa-1,3-diene-1-carboxylic acid","Alias": "5,6-diketocyclohexa-1,3-diene-1-carboxylic acid; 5,6-dioxo-1-cyclohexa-1,3-dienecarboxylic acid","Ingredient_formula": "C7H4O4","Ingredient_Smile": "C1=CC(=O)C(=O)C(=C1)C(=O)O","Ingredient_weight": "152.1 g/mol","OB_score": "72.72437541","CAS_id": "NA","SymMap_id": "SMIT12256","TCMID_id": "NA","TCMSP_id": "MOL011336","TCM_ID_id": "NA","PubChem_id": "20154716","DrugBank_id": "NA"}

   

2-hydroxy-2-methyl-1,2λ⁶-oxathiolane-2,5-dione

2-hydroxy-2-methyl-1,2λ⁶-oxathiolane-2,5-dione

C4H8O4S (152.0143)