Exact Mass: 213.00005019999998

Exact Mass Matches: 213.00005019999998

Found 81 metabolites which its exact mass value is equals to given mass value 213.00005019999998, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

L-Aspartyl-4-phosphate

(2S)-2-Amino-4-oxo-4-(phosphonooxy)butanoic acid

C4H8NO7P (213.0038388)


L-Aspartyl-4-phosphate belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from a reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-Aspartyl-4-phosphate is a very strong basic compound (based on its pKa). L-Aspartyl-4-phosphate is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways. L-Aspartyl-4-phosphate is produced from a reaction between L-aspartate and ATP, with ADP as a byproduct. The reaction is catalyzed by aspartate kinase. L-Aspartyl-4-phosphate reacts with NADPH to produce phosphate, L-aspartate-semialdehyde, and NADP+. Aspartate-semialdehyde dehydrogenase catalyzes this reaction. L-Aspartyl-4-phosphate is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

Selenomethionine se-oxide

Butanoic acid, 2-amino-4-(methylseleninyl)-

C5H11NO3Se (212.99041060000002)


This compound belongs to the family of Alpha Amino Acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

   

Carmustine

1,3-Bis(2-chloroethyl)-1-nitrosourea

C5H9Cl2N3O2 (213.0071794)


Carmustine is a cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent Isolated from the common clam Mercenaria mercenaria and from Mercenaria campechiensis D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

   

2-amino-3-oxo-4-(phosphonooxy)butanoic acid

(2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid

C4H8NO7P (213.0038388)


An alpha-amino acid that consists of 2-amino-3-oxo-4-hydroxybutanoic acid in which the hydrogen of the hydroxy function is substituted by a phospho group.

   

3-Indoxyl sulfate

1H-indol-3-Ol hydrogen sulfate ester

C8H7NO4S (213.0095782)


Indoxyl sulfate is a dietary protein metabolite and also a metabolite of the common amino acid tryptophan. It has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). It is a circulating uremic toxin stimulating glomerular sclerosis and interstitial fibrosis. Indoxyl sulfate is one of the well-known substances of a group of protein-bound uremic retention solutes. Indoxyl sulfate increases the rate of progression of renal failure. In plasma, indoxyl sulfate is a protein-bound uremic solute that induces endothelial dysfunction by inhibiting endothelial proliferation and migration in vitro. Some studies suggest that indoxyl sulfate is also involved in oxidative stress. In hemodialyzed patients, serum levels of indoxyl sulfate are associated with levels of pentosidine, a marker of carbonyl and oxidative stress. In vitro, indoxyl sulfate increases reactive oxygen species (ROS) production in tubular cells and increases NAD(P)H oxidase activity in endothelial cells. Indoxyl sulfate impairs osteoblast function and induces abnormalities of bone turnover. Indoxyl sulfate strongly decreases the levels of glutathione, one of the most active antioxidant systems of the cell (PMID: 10681668 , 14681860 , 17471003 , 17403109). Indoxyl sulfate is a microbial metabolite found in Escherichia (PMID: 19946322). Indoxyl sulfate is a dietary protein metabolite, and also the metabolite of the common amino acid tryptophan. Indoxyl sulfate is a circulating uremic toxin stimulating glomerular sclerosis and interstitial fibrosis. Indoxyl sulfate is one of the well known substances of a group of protein-bound uremic retention solutes. Indoxyl sulfate increases the rate of progression of renal failure. In plasma, indoxyl sulfate is a protein-bound uremic solute that induces endothelial dysfunction by inhibiting endothelial proliferation and migration in vitro. Some studies suggest that indoxyl sulfate is also involved in oxidative stress. In hemodialyzed patients, serum levels of indoxyl sulfate are associated with levels of pentosidine, a marker of carbonyl and oxidative stress; in vitro, indoxyl sulfate increases reactive oxygen species (ROS) production in tubular cells, and increases NAD(P)H oxidase activity in endothelial cells. Indoxyl sulfate impairs osteoblst function and induces abnormalities of bone turnover. Indoxyl sulfate strongly decreases the levels of glutathione, one of the most active antioxidant systems of the cell. (PMID: 10681668, 14681860, 17471003, 17403109) [HMDB]

   

6-Hydroxyindole sulfate

(1H-indol-6-yl)oxidanesulfonic acid

C8H7NO4S (213.0095782)


6-Hydroxyindole sulfate belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. 6-Hydroxyindole sulfate has been identified in blood (PMID: 31250215).

   

7-Hydroxyindole sulfate

(1H-indol-7-yl)oxidanesulfonic acid

C8H7NO4S (213.0095782)


7-Hydroxyindole sulfate belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. 7-Hydroxyindole sulfate is a uremic toxin (PMID: 30087103).

   

1,3,5-Trinitrobenzene

1,3,5-trinitrobenzene

C6H3N3O6 (213.0021858)


   

3-Indoxyl sulfate

3-Indoxyl sulfate

C8H7NO4S (213.0095782)


KEIO_ID I054

   

Indoxyl sulfate

3-Indoxylsulfate potassium salt

C8H7NO4S (213.0095782)


Indoxyl sulfate is an aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group. It has a role as a human metabolite. It is a member of indoles and an aryl sulfate. A substance occurring in the urine of mammals and also in blood plasma as the normal metabolite of tryptophan. An increased urinary excretion of indican is seen in Hartnup disease from the bacterial degradation of unabsorbed tryptophan. It is functionally related to an indoxyl. It is a conjugate acid of an indoxyl sulfate(1-). Indoxyl sulfate is a natural product found in Strobilanthes cusia, Calanthe discolor, and other organisms with data available. Indoxyl sulfate is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. Indoxyl sulfate is a dietary protein metabolite, and also the metabolite of the common amino acid tryptophan. Indoxyl sulfate is a circulating uremic toxin stimulating glomerular sclerosis and interstitial fibrosis. Indoxyl sulfate is one of the well known substances of a group of protein-bound uremic retention solutes. Indoxyl sulfate increases the rate of progression of renal failure. In plasma, indoxyl sulfate is a protein-bound uremic solute that induces endothelial dysfunction by inhibiting endothelial proliferation and migration in vitro. Some studies suggest that indoxyl sulfate is also involved in oxidative stress. In hemodialyzed patients, serum levels of indoxyl sulfate are associated with levels of pentosidine, a marker of carbonyl and oxidative stress; in vitro, indoxyl sulfate increases reactive oxygen species (ROS) production in tubular cells, and increases NAD(P)H oxidase activity in endothelial cells. Indoxyl sulfate impairs osteoblst function and induces abnormalities of bone turnover. Indoxyl sulfate strongly decreases the levels of glutathione, one of the most active antioxidant systems of the cell. (A3273, A3274, A3275, A3276).

   

3-Indoxylsulfate potassium salt

3-Indoxylsulfate potassium salt

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate; LC-tDDA; CE10

Indoxyl-sulfate; LC-tDDA; CE10

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate; LC-tDDA; CE20

Indoxyl-sulfate; LC-tDDA; CE20

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate; LC-tDDA; CE30

Indoxyl-sulfate; LC-tDDA; CE30

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate; LC-tDDA; CE40

Indoxyl-sulfate; LC-tDDA; CE40

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate [M+H-SO3]+; AIF; CE0; CorrDec

Indoxyl-sulfate [M+H-SO3]+; AIF; CE0; CorrDec

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate [M+H-SO3]+; AIF; CE10; CorrDec

Indoxyl-sulfate [M+H-SO3]+; AIF; CE10; CorrDec

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate [M+H-SO3]+; AIF; CE30; CorrDec

Indoxyl-sulfate [M+H-SO3]+; AIF; CE30; CorrDec

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate [M+H-SO3]+; AIF; CE0; MS2Dec

Indoxyl-sulfate [M+H-SO3]+; AIF; CE0; MS2Dec

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate [M+H-SO3]+; AIF; CE10; MS2Dec

Indoxyl-sulfate [M+H-SO3]+; AIF; CE10; MS2Dec

C8H7NO4S (213.0095782)


   

Indoxyl-sulfate [M+H-SO3]+; AIF; CE30; MS2Dec

Indoxyl-sulfate [M+H-SO3]+; AIF; CE30; MS2Dec

C8H7NO4S (213.0095782)


   

Indoxylsulfuric acid

Indoxylsulfuric acid

C8H7NO4S (213.0095782)


   

POTASSIUM TRIFLUORO(4-FORMYLPYRIDIN-3-YL)BORATE

POTASSIUM TRIFLUORO(4-FORMYLPYRIDIN-3-YL)BORATE

C6H4BF3KNO (212.99750999999998)


   

2-azetidin-1-yl-5-bromo-pyrimidine

2-azetidin-1-yl-5-bromo-pyrimidine

C7H8BrN3 (212.9901548)


   

Benzothiazole,2-(methylsulfonyl)-

Benzothiazole,2-(methylsulfonyl)-

C8H7NO2S2 (212.9918202)


   

methyl 4-cyano-5-(methylthio)thiophene-2-carboxylate

methyl 4-cyano-5-(methylthio)thiophene-2-carboxylate

C8H7NO2S2 (212.9918202)


   

3-Chloro-4-fluoro-5-(trifluoromethyl)aniline

3-Chloro-4-fluoro-5-(trifluoromethyl)aniline

C7H4ClF4N (212.99683819999998)


   

Acetic acid,2-[(4-nitrophenyl)thio]-

Acetic acid,2-[(4-nitrophenyl)thio]-

C8H7NO4S (213.0095782)


   
   

Benzothiazole, 6-(methylsulfonyl)- (9CI)

Benzothiazole, 6-(methylsulfonyl)- (9CI)

C8H7NO2S2 (212.9918202)


   

3,5-dinitroisonicotinic acid

3,5-dinitroisonicotinic acid

C6H3N3O6 (213.0021858)


   

1,2-benzoxazol-3-ylmethanesulfonic acid

1,2-benzoxazol-3-ylmethanesulfonic acid

C8H7NO4S (213.0095782)


   

2H-​Benzimidazol-​2-​one, 4-​chloro-​1,​3-​dihydro-​6-​nitro-

2H-​Benzimidazol-​2-​one, 4-​chloro-​1,​3-​dihydro-​6-​nitro-

C7H4ClN3O3 (212.9941184)


   

2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ACETONITRILE

2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ACETONITRILE

C7H8BrN3 (212.9901548)


   

2-Thiophenamine trifluoroacetate (1:1)

2-Thiophenamine trifluoroacetate (1:1)

C6H6F3NO2S (213.0071332)


   

Pyrrolidine, 1-(2-bromoethyl)-, hydrochloride

Pyrrolidine, 1-(2-bromoethyl)-, hydrochloride

C6H13BrClN (212.9919828)


   

4-(Bromomethyl)piperidine hydrochloride

4-(Bromomethyl)piperidine hydrochloride

C6H13BrClN (212.9919828)


   

5-(METHYLTHIO)-2-NITROBENZOIC ACID

5-(METHYLTHIO)-2-NITROBENZOIC ACID

C8H7NO4S (213.0095782)


   

2-chloro-5-(methoxycarbonyl)benzoic acid

2-chloro-5-(methoxycarbonyl)benzoic acid

C9H6ClO4- (212.9954606)


   

5-(AMINOOXY)PENTANOIC ACID, HYDROBROMIDE

5-(AMINOOXY)PENTANOIC ACID, HYDROBROMIDE

C5H12BrNO3 (213.00005019999998)


   

Butanamide,2,2,3,3,4,4,4-heptafluoro-

Butanamide,2,2,3,3,4,4,4-heptafluoro-

C4H2F7NO (213.00246059999998)


   

methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate

methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate

C8H7NO2S2 (212.9918202)


   

rhenium boride

rhenium boride

B2H4Re (213.0056734)


   

5-Chloro-4-fluoro-1H-indole-2-carboxylic acid

5-Chloro-4-fluoro-1H-indole-2-carboxylic acid

C9H5ClFNO2 (212.99928320000004)


   

7-Bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

7-Bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

C7H8BrN3 (212.9901548)


   

ETHYL THIENO[3,2-D]ISOTHIAZOLE-5-CARBOXYLATE

ETHYL THIENO[3,2-D]ISOTHIAZOLE-5-CARBOXYLATE

C8H7NO2S2 (212.9918202)


   

2-(chloromethyl)-4H-1,4-benzothiazin-3-one

2-(chloromethyl)-4H-1,4-benzothiazin-3-one

C9H8ClNOS (213.00151079999998)


   

Benzothiazole, 2-(chloromethyl)-4-methoxy- (9CI)

Benzothiazole, 2-(chloromethyl)-4-methoxy- (9CI)

C9H8ClNOS (213.00151079999998)


   

8-Bromo-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine

8-Bromo-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine

C7H8BrN3 (212.9901548)


   

2-(chloromethyl)-6-methoxy-1,3-benzothiazole

2-(chloromethyl)-6-methoxy-1,3-benzothiazole

C9H8ClNOS (213.00151079999998)


   

2-chloromethyl-3-fluoro-5-(trifluoromethyl)-pyridine

2-chloromethyl-3-fluoro-5-(trifluoromethyl)-pyridine

C7H4ClF4N (212.99683819999998)


   

6-chloro-5-methoxy-2-methyl-benzothiazole

6-chloro-5-methoxy-2-methyl-benzothiazole

C9H8ClNOS (213.00151079999998)


   

4-Amino-1H-pyrazole-1-acetic acid dihydrochloride

4-Amino-1H-pyrazole-1-acetic acid dihydrochloride

C5H9Cl2N3O2 (213.0071794)


   

5-(Methylsulfonyl)-1,3-benzoxazol-2(3H)-one

5-(Methylsulfonyl)-1,3-benzoxazol-2(3H)-one

C8H7NO4S (213.0095782)


   

3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C8H7NO2S2 (212.9918202)


   

5-Bromo-N-cyclopropyl-2-pyrimidinamine

5-Bromo-N-cyclopropyl-2-pyrimidinamine

C7H8BrN3 (212.9901548)


   
   

POTASSIUM TRIFLUORO(5-FORMYLPYRIDIN-3-YL)BORATE

POTASSIUM TRIFLUORO(5-FORMYLPYRIDIN-3-YL)BORATE

C6H4BF3KNO (212.99750999999998)


   

POTASSIUM TRIFLUORO(6-FORMYLPYRIDIN-3-YL)BORATE

POTASSIUM TRIFLUORO(6-FORMYLPYRIDIN-3-YL)BORATE

C6H4BF3KNO (212.99750999999998)


   

1,2,3-Trinitrobenzene

1,2,3-Trinitrobenzene

C6H3N3O6 (213.0021858)


   

1,2,4-Trinitrobenzene

1,2,4-Trinitrobenzene

C6H3N3O6 (213.0021858)


   

Phospho-hydroxy-threonine

Phospho-hydroxy-threonine

C4H8NO7P-2 (213.0038388)


   

(2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate

(2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate

C8H5O7-3 (213.00352800000002)


   

2-Hydroxy-5-carboxymethylmuconate

2-Hydroxy-5-carboxymethylmuconate

C8H5O7-3 (213.00352800000002)


   

(2E,4Z)-4-nitro-6-oxohepta-2,4-dienedioate

(2E,4Z)-4-nitro-6-oxohepta-2,4-dienedioate

C7H3NO7-2 (212.9909528)


   

7-Hydroxyindole sulfate

7-Hydroxyindole sulfate

C8H7NO4S (213.0095782)


   

(3E)-5-oxopent-3-ene-1,2,5-tricarboxylate

(3E)-5-oxopent-3-ene-1,2,5-tricarboxylate

C8H5O7-3 (213.00352800000002)


   

4-Nitro-6-oxohepta-2,4-dienedioate

4-Nitro-6-oxohepta-2,4-dienedioate

C7H3NO7-2 (212.9909528)


   

trans,cis-5-Carboxylatomethyl-2-hydroxymuconate

trans,cis-5-Carboxylatomethyl-2-hydroxymuconate

C8H5O7-3 (213.00352800000002)


   

S-methyl N-(6-oxopyran-2-carbonyl)carbamothioate

S-methyl N-(6-oxopyran-2-carbonyl)carbamothioate

C8H7NO4S (213.0095782)


   

5-Hydroxypenta-2,4-diene-1,2,5-tricarboxylate

5-Hydroxypenta-2,4-diene-1,2,5-tricarboxylate

C8H5O7-3 (213.00352800000002)


   

carmustine

carmustine

C5H9Cl2N3O2 (213.0071794)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

   

Aspartyl phosphate

Aspartyl phosphate

C4H8NO7P (213.0038388)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

(2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid

(2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid

C4H8NO7P (213.0038388)


An optically active form of 2-amino-3-oxo-4-(phosphonooxy)butanoic acid having (2S)-configuration.

   

1,3,5-trinitrobenzene

1,3,5-trinitrobenzene

C6H3N3O6 (213.0021858)


   

4-(phosphonatooxy)-L-threonine(2-)

4-(phosphonatooxy)-L-threonine(2-)

C4H8NO7P (213.0038388)


Conjugate base of 4-(phosphonooxy)-L-threonine.

   

6-Hydroxyindole sulfate

6-Hydroxyindole sulfate

C8H7NO4S (213.0095782)


   

4-Phospho-L-aspartic acid

4-Phospho-L-aspartic acid

C4H8NO7P (213.0038388)


The 4-phospho derivative of L-aspartic acid.

   

Hydroxyindole sulfate

Hydroxyindole sulfate

C8H7NO4S (213.0095782)


   

4-Phospho-aspartic acid

4-Phospho-aspartic acid

C4H8NO7P (213.0038388)


   

Phospho-aspartic acid

Phospho-aspartic acid

C4H8NO7P (213.0038388)