Exact Mass: 335.0688

Exact Mass Matches: 335.0688

Found 59 metabolites which its exact mass value is equals to given mass value 335.0688, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

S-Formylglutathione

(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(formylsulfanyl)ethyl]carbamoyl}butanoic acid

C11H17N3O7S (335.0787)


S-Formylglutathione, also known as L-gamma-glutamyl-S-formyl-L-cysteinylglycine, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of three to ten alpha-amino acids joined by peptide bonds. S-Formylglutathione is a very strong basic compound (based on its pKa). S-Formylglutathione exists in all living species, ranging from bacteria to humans. Outside of the human body, S-formylglutathione has been detected, but not quantified in, several different foods, such as sweet marjorams, muscadine grapes, amaranths, lemon verbena, and garden tomato. This could make S-formylglutathione a potential biomarker for the consumption of these foods. S-Formylglutathione is formed from the oxidation of S-hydroxymethylglutathione by the enzyme formaldehyde dehydrogenase (FDH; EC 1.2.1.1) in the presence of NAD (PMID: 2806555). S-Formylglutathione is formed from the oxidation of S-hydroxymethylglutathione by the enzyme formaldehyde dehydrogenase (FDH; EC 1.2.1.1) in the presence of NAD (PubMed ID 2806555) [HMDB]. S-Formylglutathione is found in many foods, some of which are horseradish tree, wild carrot, japanese walnut, and red beetroot.

   

Dihydroneopterin phosphate

[(2R,3S)-3-(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropoxy]phosphonic acid

C9H14N5O7P (335.0631)


Dihydroneopterin phosphate is involved in the folate biosynthesis pathway. Dihydroneopterin phosphate is produced from 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine. triphosphate by [E3.6.1.-]. Dihydroneopterin phosphate is then converted to Dihydroneopterin by [E3.6.1.-]. Dihydroneopterin phosphate is involved in the folate biosynthesis pathway. Dihydroneopterin phosphate is produced from 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine

   

7,8-Dihydroneopterin 2-phosphate

7,8-Dihydroneopterin 2-phosphate

C9H14N5O7P (335.0631)


   

S-formylglutathionate(1-)

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-(formylsulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C11H17N3O7S (335.0787)


S-formylglutathionate(1-) is considered to be slightly soluble (in water) and acidic

   

MEK1-2-inhibitor

3-[(4-aminophenyl)sulfanyl]-3-imino-2-[2-(trifluoromethyl)phenyl]propanenitrile

C16H12F3N3S (335.0704)


   

Flamprop-methyl

methyl 2-[N-(3-chloro-4-fluorophenyl)-1-phenylformamido]propanoate

C17H15ClFNO3 (335.0724)


   

(Z)-3-Amino-3-(4-aminophenylthio)-2-(2-(trifluoromethyl)phenyl)acrylonitrile

3-amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

C16H12F3N3S (335.0704)


   

2-Methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide

2-chloro-5-(((2-Methyl-3-furanyl)carbonothioyl)amino)phenyl 3-methyl-2-butenyl ether

C17H18ClNO2S (335.0747)


   

Progabide acid

4-{[(4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylidene]amino}butanoic acid

C17H15ClFNO3 (335.0724)


D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

caffeoylshikimate

4-{3-[(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxy]-3-oxoprop-1-en-1-yl}-2-hydroxybenzen-1-olic acid

C16H15O8 (335.0767)


Caffeoylshikimate is also known as caffeoylshikimic acid. Caffeoylshikimate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Caffeoylshikimate can be found in a number of food items such as swamp cabbage, green zucchini, hazelnut, and wax gourd, which makes caffeoylshikimate a potential biomarker for the consumption of these food products.

   
   
   
   
   
   

beta-Nicotinamide D-ribonucleotide

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-3-(C-hydroxycarbonimidoyl)-1$l^{5}-pyridin-1-ylium

C11H16N2O8P (335.0644)


   

4-(4-chloro-3,5-dimethylphenoxy)-N-hydroxy-3-nitrobenzenecarboximidamide

4-(4-chloro-3,5-dimethylphenoxy)-N-hydroxy-3-nitrobenzenecarboximidamide

C15H14ClN3O4 (335.0673)


   

gadolinium(3+),propan-2-olate

gadolinium(3+),propan-2-olate

C9H21GdO3 (335.0732)


   

6-(p-Toluidino)-2-naphthalenesulfonic acid sodium salt

6-(p-Toluidino)-2-naphthalenesulfonic acid sodium salt

C17H14NNaO3S (335.0592)


   

Acridine,6-chloro-2-methoxy-9-phenoxy-

Acridine,6-chloro-2-methoxy-9-phenoxy-

C20H14ClNO2 (335.0713)


   

4-(BROMO-METHOXYCARBONYL-METHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

4-(BROMO-METHOXYCARBONYL-METHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C13H22BrNO4 (335.0732)


   

SL-327

alpha-[Amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile

C16H12F3N3S (335.0704)


SL327 inhibits MEK1 and MEK2, with IC50 values of 180 nM and 220 nM, respectively.

   

1-(4-cyanophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid

1-(4-cyanophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid

C18H13N3O2S (335.0728)


   

5-Bromo-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

5-Bromo-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C15H19BBrNO2 (335.0692)


   

2,3-dimethylbenzothiazolium p-toluenesulphonate

2,3-dimethylbenzothiazolium p-toluenesulphonate

C16H17NO3S2 (335.065)


   

chlordiazepoxide hydrochloride

chlordiazepoxide hydrochloride

C16H15Cl2N3O (335.0592)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

   

sulfachrysoidine

sulfachrysoidine

C13H13N5O4S (335.0688)


C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent

   

N-(4-Chloro-3-((3-methyl-2-butenyl)oxy)phenyl)-2-methyl-3-furancarbothioamide

N-(4-Chloro-3-((3-methyl-2-butenyl)oxy)phenyl)-2-methyl-3-furancarbothioamide

C17H18ClNO2S (335.0747)


C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent

   
   

[4-Amino-3-(4-methylphenyl)-2-sulfanylidene-5-thiazolyl]-(4-morpholinyl)methanone

[4-Amino-3-(4-methylphenyl)-2-sulfanylidene-5-thiazolyl]-(4-morpholinyl)methanone

C15H17N3O2S2 (335.0762)


   

N-(1,1-dioxo-3-thiolanyl)-N-(thiophen-2-ylmethyl)benzamide

N-(1,1-dioxo-3-thiolanyl)-N-(thiophen-2-ylmethyl)benzamide

C16H17NO3S2 (335.065)


   

1-(1,3-Benzodioxol-5-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinoline

1-(1,3-Benzodioxol-5-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinoline

C18H13N3O2S (335.0728)


   

[(2S,3R,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

[(2S,3R,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

C11H16N2O8P+ (335.0644)


   

Nicotinamide ribotide

3-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1lambda5-pyridin-1-ylium

C11H16N2O8P+ (335.0644)


Nicotinamide ribotide (NMN) (CAS: 1094-61-7) is an important intermediate metabolite in the nicotinate and nicotinamide metabolism pathway. Mammals predominantly use nicotinamide rather than nicotinic acid as a precursor for NAD biosynthesis. Instead of the deamidation into nicotinic acid, nicotinamide is directly converted into NMN by nicotinamide phosphoribosyltransferase (NAMPT, EC 2.4.2.12). The enzyme nicotinamide mononucleotide adenylyltransferase (NMNAT, EC 2.7.7.1), which is a member of the nucleotidyltransferase alpha/beta-phosphodiesterase superfamily, catalyzes the reaction NMN + ATP <=> nicotinamide adenine dinucleotide (NAD) + PPi, representing the final step in the biosynthesis of NAD. NAD is a molecule that plays a fundamental role as a cofactor in cellular redox reactions. Thus NMN is an important metabolite for the maintenance of normal NAD biosynthesis. Circulating NMN levels may play an important role in regulating cell function in physiological and pathophysiological conditions (PMID: 15078171, 17983582). Nicotinamide ribotide (NMN) is an important intermediate metabolite in the nicotinate and nicotinamide metabolism pathway. Mammals predominantly use nicotinamide rather than nicotinic acid as a precursor for NAD biosynthesis. Instead of the deamidation to nicotinic acid, nicotinamide is directly converted to NMN by nicotinamide phosphoribosyltransferase (NAMPT, EC 2.4.2.12). The enzyme nicotinamide mononucleotide adenylyltransferase (NMNAT, EC 2.7.7.1), a member of the nucleotidyltransferase alpha/beta-phosphodiesterase superfamily, catalyzes the reaction NMN + ATP = Nicotinamide adenine dinucleotide (NAD) + PPi, representing the final step in the biosynthesis of NAD, a molecule playing a fundamental role as a cofactor in cellular redox reactions. Thus NMN is an important metabolite for the maintenance of normal NAD biosynthesis, and circulating NMN levels may play an important role in regulating cell function in physiological and pathophysiological conditions. (PMID: 15078171, 17983582) [HMDB]

   

5-O-Caffeoylshikimate

5-O-Caffeoylshikimate

C16H15O8- (335.0767)


   

S-nitrosoglutathione(1-)

S-nitrosoglutathione(1-)

C10H15N4O7S- (335.0661)


D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors > D026403 - S-Nitrosothiols D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000890 - Anti-Infective Agents D020011 - Protective Agents

   

Caffeoylshikimate

Caffeoylshikimate

C16H15O8- (335.0767)


   

3-[2-(4-Aminoanilino)-4-thiazolyl]-1-benzopyran-2-one

3-[2-(4-Aminoanilino)-4-thiazolyl]-1-benzopyran-2-one

C18H13N3O2S (335.0728)


   

3-(4-Methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamide

3-(4-Methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamide

C18H13N3O2S (335.0728)


   

[(2R,3S,4R,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

C11H16N2O8P+ (335.0644)


   

[7-[(3-Cyanophenyl)sulfonylamino]-4-methylindol-3-ylidene]methylideneazanide

[7-[(3-Cyanophenyl)sulfonylamino]-4-methylindol-3-ylidene]methylideneazanide

C17H11N4O2S- (335.0603)


   

S-Formylglutathione

S-Formylglutathione

C11H17N3O7S (335.0787)


A S-acylglutathione in which the acyl group specified is formyl.

   

Dihydroneopterin phosphate

Dihydroneopterin phosphate

C9H14N5O7P (335.0631)


   

beta-Nicotinamide ribose monophosphate

beta-Nicotinamide ribose monophosphate

C11H16N2O8P+ (335.0644)


   

5-[(e)-Caffeoyl]shikimate

5-[(e)-Caffeoyl]shikimate

C16H15O8 (335.0767)


A hydroxy monocarboxylic acid anion that is the conjugate base of 5-[(E)-caffeoyl]shikimic acid. Major structure at pH 7.3

   
   

7,8-Dihydroneopterin 3-phosphate

7,8-Dihydroneopterin 3-phosphate

C9H14N5O7P (335.0631)


   

(5s,10r)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaene-6,13-dione

(5s,10r)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaene-6,13-dione

C18H13N3O2S (335.0728)


   

(3s)-9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,7,14(21),16-hexaene-6,13-dione

(3s)-9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,7,14(21),16-hexaene-6,13-dione

C18H13N3O2S (335.0728)


   

(2s)-2-[(2r)-6-(carboxymethyl)-4-hydroxy-5,7-dioxo-2h,3h-furo[2,3-f]isoindol-2-yl]propanoic acid

(2s)-2-[(2r)-6-(carboxymethyl)-4-hydroxy-5,7-dioxo-2h,3h-furo[2,3-f]isoindol-2-yl]propanoic acid

C15H13NO8 (335.0641)


   

(3r,5s,10r)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaene-6,13-dione

(3r,5s,10r)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaene-6,13-dione

C18H13N3O2S (335.0728)


   

(3r)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaene-6,13-dione

(3r)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaene-6,13-dione

C18H13N3O2S (335.0728)


   

2,3-dihydroxy-3-(4-hydroxy-2-imino-7,8-dihydro-1h-pteridin-6-yl)propoxyphosphonic acid

2,3-dihydroxy-3-(4-hydroxy-2-imino-7,8-dihydro-1h-pteridin-6-yl)propoxyphosphonic acid

C9H14N5O7P (335.0631)


   

2-[6-(carboxymethyl)-4-hydroxy-5,7-dioxo-2h,3h-furo[2,3-f]isoindol-2-yl]propanoic acid

2-[6-(carboxymethyl)-4-hydroxy-5,7-dioxo-2h,3h-furo[2,3-f]isoindol-2-yl]propanoic acid

C15H13NO8 (335.0641)


   

(2r,3s)-2,3-dihydroxy-3-(4-hydroxy-2-imino-7,8-dihydro-1h-pteridin-6-yl)propoxyphosphonic acid

(2r,3s)-2,3-dihydroxy-3-(4-hydroxy-2-imino-7,8-dihydro-1h-pteridin-6-yl)propoxyphosphonic acid

C9H14N5O7P (335.0631)


   

(2r)-2-[(2s)-6-(carboxymethyl)-4-hydroxy-5,7-dioxo-2h,3h-furo[2,3-f]isoindol-2-yl]propanoic acid

(2r)-2-[(2s)-6-(carboxymethyl)-4-hydroxy-5,7-dioxo-2h,3h-furo[2,3-f]isoindol-2-yl]propanoic acid

C15H13NO8 (335.0641)


   

(3r,5s,10s)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaene-6,13-dione

(3r,5s,10s)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaene-6,13-dione

C18H13N3O2S (335.0728)


   

9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,7,14(21),16-hexaene-6,13-dione

9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,7,14(21),16-hexaene-6,13-dione

C18H13N3O2S (335.0728)


   

(3s,10s)-9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,7,14(21),16-hexaene-6,13-dione

(3s,10s)-9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,7,14(21),16-hexaene-6,13-dione

C18H13N3O2S (335.0728)