Exact Mass: 399.1462

Exact Mass Matches: 399.1462

Found 85 metabolites which its exact mass value is equals to given mass value 399.1462, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Difloxacin

1-(4-Fluorophenyl)-6-fluoro-7-(4-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

C21H19F2N3O3 (399.1394)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3666 CONFIDENCE standard compound; INTERNAL_ID 1028

   

Oxmetidine

5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]-1,4-dihydropyrimidin-4-one

C19H21N5O3S (399.1365)


Oxmetidine belongs to the family of Benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

S-Adenosylmethionine

[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium

C15H23N6O5S+ (399.1451)


S-adenosylmethionine, also known as sam or adomet, is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosylmethionine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). S-adenosylmethionine can be found in a number of food items such as common grape, half-highbush blueberry, jerusalem artichoke, and thistle, which makes S-adenosylmethionine a potential biomarker for the consumption of these food products. S-adenosylmethionine can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine, as well as throughout most human tissues. S-adenosylmethionine exists in all eukaryotes, ranging from yeast to humans. In humans, S-adenosylmethionine is involved in several metabolic pathways, some of which include phosphatidylcholine biosynthesis PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), phosphatidylcholine biosynthesis PC(22:0/18:3(9Z,12Z,15Z)), phosphatidylcholine biosynthesis PC(24:0/24:0), and phosphatidylcholine biosynthesis PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0). S-adenosylmethionine is also involved in several metabolic disorders, some of which include methylenetetrahydrofolate reductase deficiency (MTHFRD), 3-phosphoglycerate dehydrogenase deficiency, monoamine oxidase-a deficiency (MAO-A), and aromatic l-aminoacid decarboxylase deficiency. Moreover, S-adenosylmethionine is found to be associated with diabetes mellitus type 2 and neurodegenerative disease. S-adenosylmethionine is a non-carcinogenic (not listed by IARC) potentially toxic compound. S-Adenosyl methionine is a common cosubstrate involved in methyl group transfers, transsulfuration, and aminopropylation. Although these anabolic reactions occur throughout the body, most SAM-e is produced and consumed in the liver. More than 40 methyl transfers from SAM-e are known, to various substrates such as nucleic acids, proteins, lipids and secondary metabolites. It is made from adenosine triphosphate (ATP) and methionine by methionine adenosyltransferase (EC 2.5.1.6). SAM was first discovered by Giulio Cantoni in 1952 . Significant first-pass metabolism in the liver. Approximately 50\\\% of S-Adenosylmethionine (SAMe) is metabolized in the liver. SAMe is metabolized to S-adenosylhomocysteine, which is then metabolized to homocysteine. Homocysteine can either be metabolized to cystathionine and then cysteine or to methionine. The cofactor in the metabolism of homocysteine to cysteine is vitamin B6. Cofactors for the metabolism of homocysteine to methionine are folic acid, vitamin B12 and betaine (T3DB). S-Adenosylmethionine (CAS: 29908-03-0), also known as SAM or AdoMet, is a physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in the treatment of chronic liver disease (From Merck, 11th ed). S-Adenosylmethionine is a natural substance present in the cells of the body. It plays a crucial biochemical role by donating a one-carbon methyl group in a process called transmethylation. S-Adenosylmethionine, formed from the reaction of L-methionine and adenosine triphosphate catalyzed by the enzyme S-adenosylmethionine synthetase, is the methyl-group donor in the biosynthesis of both DNA and RNA nucleic acids, phospholipids, proteins, epinephrine, melatonin, creatine, and other molecules.

   

beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-glycyl]glucopyranoside

beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-glycyl]glucopyranoside

C14H25NO12 (399.1377)


   

2-O-(alpha-D-glucopyranosyl)biopterin|2-Amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-on|2-amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-one

2-O-(alpha-D-glucopyranosyl)biopterin|2-Amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-on|2-amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-one

C15H21N5O8 (399.139)


   

L-Valine, 3-hydroxy-,(6-carboxy-4-methoxy-1-phenazinyl)methyl ester (9CI)

L-Valine, 3-hydroxy-,(6-carboxy-4-methoxy-1-phenazinyl)methyl ester (9CI)

C20H21N3O6 (399.143)


   
   
   
   
   
   
   
   

S-Adenosylmethionine

S-Adenosylmethionine

[C15H23N6O5S]+ (399.1451)


KEIO_ID A020; [MS2] KO008827 KEIO_ID A020

   

1-Pyridyloxobutyl-deoxyinosine

1-Pyridyloxobutyl-deoxyinosine

C19H21N5O5 (399.1543)


   
   
   
   
   
   
   
   
   

2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-

2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-

C22H22FNO5 (399.1482)


   
   

1-(DINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)PIPERIDINE

1-(DINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)PIPERIDINE

C25H22NO2P (399.1388)


   

Fmoc-d-cys(tbu)-oh

Fmoc-d-cys(tbu)-oh

C22H25NO4S (399.1504)


   
   

TAK-715

Benzamide, N-[4-[2-ethyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-

C24H21N3OS (399.1405)


   

1-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID

1-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID

C25H21NO4 (399.1471)


   

7-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidine

7-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidine

C19H22BN3O4S (399.1424)


   

n-fmoc-2-aminoindan-2-carboxylic acid

n-fmoc-2-aminoindan-2-carboxylic acid

C25H21NO4 (399.1471)


   

fmoc-d-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

fmoc-d-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

C25H21NO4 (399.1471)


   

Fmoc-S-tert-butyl-L-cysteine

Fmoc-S-tert-butyl-L-cysteine

C22H25NO4S (399.1504)


   

FA-Phe-Gly-Gly-OH

FA-Phe-Gly-Gly-OH

C20H21N3O6 (399.143)


   
   

Fmoc-D-Tic-OH

Fmoc-D-Tic-OH

C25H21NO4 (399.1471)


   

(S)-5-[[1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl]amino]-5-oxovaleric acid

(S)-5-[[1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl]amino]-5-oxovaleric acid

C20H21N3O6 (399.143)


   

Pimodivir

Pimodivir

C20H19F2N5O2 (399.1507)


C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

BendaMustine IMpurity C

BendaMustine IMpurity C

C19H27Cl2N3O2 (399.148)


   

N-[1-[N-[1-(N-L-Arginylglycyl)-L-prolyl]-L-pheny

N-[1-[N-[1-(N-L-Arginylglycyl)-L-prolyl]-L-pheny

C20H21N3O6 (399.143)


   

Naloxone hydrochloride dihydrate

Naloxone hydrochloride dihydrate

C19H26ClNO6 (399.1449)


   

Arbaclofen placarbil

Arbaclofen placarbil

C19H26ClNO6 (399.1449)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2199 - Adjuvant Analgesic D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents

   

N-(3-Tert-butyl-1H-pyrazol-5-YL)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea

N-(3-Tert-butyl-1H-pyrazol-5-YL)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea

C20H22ClN5O2 (399.1462)


   

(-)-1,2,3,4-tetrahydro-1-(3,4,5-Trimethoxybenzyl)isoquinoline-6,7-diol hydrochloride monohydrate

(-)-1,2,3,4-tetrahydro-1-(3,4,5-Trimethoxybenzyl)isoquinoline-6,7-diol hydrochloride monohydrate

C19H26ClNO6 (399.1449)


D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists

   

S-Adenosyl-L-methionine

S-Adenosyl-L-methionine

C15H23N6O5S+ (399.1451)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Pelagiomicin A

Pelagiomicin A

C20H21N3O6 (399.143)


A natural product found in Pelagiobacter variabilis.

   

Dihydrocodeine phosphate

5,6-Dihydro-b,b-carotene-3,3,5,6-tetrol

C18H26NO7P (399.1447)


6-epikarpoxanthin is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. 6-epikarpoxanthin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-epikarpoxanthin can be found in a number of food items such as italian sweet red pepper, herbs and spices, fruits, and orange bell pepper, which makes 6-epikarpoxanthin a potential biomarker for the consumption of these food products.

   

Difloxacin

Difloxacin

C21H19F2N3O3 (399.1394)


A quinolone that is pefloxacin in which the ethyl group at position 1 of the quinolone has been replaced by a p-fluorophenyl group. A broad-spectrum antibiotic effective against both Gram-positive and Gram-negative bacteria, it is used (usually as the monohydrochloride salt) for the treatment of bacterial infections in dogs. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

   

[(3S)-3-Amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium

[(3S)-3-Amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium

C15H23N6O5S+ (399.1451)


   
   

2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile

2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile

C20H21N3O6 (399.143)


   

N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide

C24H21N3OS (399.1405)


   

ethyl 2,4-dimethyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate

C19H21N5O3S (399.1365)


   

(5Z)-3-(2-ethylhexyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one

(5Z)-3-(2-ethylhexyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one

C21H25N3OS2 (399.1439)


   
   
   
   

(+)-[6]-Gingerol; (S)-(+)-[6]Gingerol; (S)-[6]Gingerol

(+)-[6]-Gingerol; (S)-(+)-[6]Gingerol; (S)-[6]Gingerol

C15H23N6O5S+ (399.1451)


   

(2S,3S,3aR,9bR)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

(2S,3S,3aR,9bR)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

C18H20F3N3O4 (399.1406)


   

(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

C18H20F3N3O4 (399.1406)


   
   
   
   
   
   
   
   
   
   

2-aminoethyl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid

2-aminoethyl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid

C14H25NO12 (399.1377)


   

2-aminoethyl 4-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside

2-aminoethyl 4-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside

C14H25NO12 (399.1377)


   

S-Adenosyl-L-methionine

S-Adenosyl-L-methionine

C15H23N6O5S (399.1451)


A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.

   

(R)-S-adenosyl-L-methionine

(R)-S-adenosyl-L-methionine

C15H23N6O5S (399.1451)


An S-adenosyl-L-methionine that has R-configuration.

   

(S)-S-adenosyl-L-methionine

(S)-S-adenosyl-L-methionine

C15H23N6O5S (399.1451)


   

OXMETIDINE

OXMETIDINE

C19H21N5O3S (399.1365)


C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

S-adenosyl-L-methionine zwitterion

S-adenosyl-L-methionine zwitterion

C15H23N6O5S (399.1451)


A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.

   

(R)-S-adenosyl-L-methionine zwitterion

(R)-S-adenosyl-L-methionine zwitterion

C15H23N6O5S (399.1451)


An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.

   

(S)-S-adenosyl-L-methionine zwitterion

(S)-S-adenosyl-L-methionine zwitterion

C15H23N6O5S (399.1451)


An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.

   

Ro 363 (hydrochloride)

Ro 363 (hydrochloride)

C19H26ClNO6 (399.1449)


Ro 363 hydrochloride, an effective inotropic stimulant, is a potent and highly selective β1-adrenoceptor agonist. Ro 363 hydrochloride is a cardiovascular modulator that reduces diastolic blood pressure and pronounces increases in myocardial contractility[1][2][3].

   

(2s,5s,6s,9r,10s,13r,14s)-23-hydroxy-5-methyl-3-oxa-20-thia-18-azahexacyclo[14.7.0.0²,⁹.0⁶,¹⁰.0⁹,¹⁴.0¹⁷,²¹]tricosa-1(23),16,18,21-tetraene-13-carboxylic acid

(2s,5s,6s,9r,10s,13r,14s)-23-hydroxy-5-methyl-3-oxa-20-thia-18-azahexacyclo[14.7.0.0²,⁹.0⁶,¹⁰.0⁹,¹⁴.0¹⁷,²¹]tricosa-1(23),16,18,21-tetraene-13-carboxylic acid

C22H25NO4S (399.1504)


   

23-hydroxy-5-methyl-3-oxa-20-thia-18-azahexacyclo[14.7.0.0²,⁹.0⁶,¹⁰.0⁹,¹⁴.0¹⁷,²¹]tricosa-1(23),16,18,21-tetraene-13-carboxylic acid

23-hydroxy-5-methyl-3-oxa-20-thia-18-azahexacyclo[14.7.0.0²,⁹.0⁶,¹⁰.0⁹,¹⁴.0¹⁷,²¹]tricosa-1(23),16,18,21-tetraene-13-carboxylic acid

C22H25NO4S (399.1504)


   

(2r,3r,4s,5s,6r)-2-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminoacetate

(2r,3r,4s,5s,6r)-2-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminoacetate

C14H25NO12 (399.1377)


   

6,11-dihydroxy-2,2,5-trimethyl-12-phenyl-1-oxa-5-azatetraphen-10-one

6,11-dihydroxy-2,2,5-trimethyl-12-phenyl-1-oxa-5-azatetraphen-10-one

C25H21NO4 (399.1471)


   

2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminoacetate

2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminoacetate

C14H25NO12 (399.1377)