Chemical Formula: C12H16N2O3

Chemical Formula C12H16N2O3

Found 69 metabolite its formula value is C12H16N2O3

CARBETAMIDE

(1S)-1-(ethylcarbamoyl)ethyl N-phenylcarbamate

C12H16N2O3 (236.1160866)


CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3778; ORIGINAL_PRECURSOR_SCAN_NO 3775 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3852; ORIGINAL_PRECURSOR_SCAN_NO 3849 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3781; ORIGINAL_PRECURSOR_SCAN_NO 3776 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7762; ORIGINAL_PRECURSOR_SCAN_NO 7757 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7762; ORIGINAL_PRECURSOR_SCAN_NO 7757 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7771; ORIGINAL_PRECURSOR_SCAN_NO 7769 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7800; ORIGINAL_PRECURSOR_SCAN_NO 7797 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7804; ORIGINAL_PRECURSOR_SCAN_NO 7802 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7791; ORIGINAL_PRECURSOR_SCAN_NO 7787 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7811; ORIGINAL_PRECURSOR_SCAN_NO 7809 ORIGINAL_ACQUISITION_NO 7811; CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 7809 CONFIDENCE standard compound; EAWAG_UCHEM_ID 136

   

Hexobarbital

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-

C12H16N2O3 (236.1160866)


Hexobarbital is only found in individuals that have used or taken this drug. It is a barbiturate that is effective as a hypnotic and sedative. [PubChem]Hexobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABA-A receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators

   

Alanylphenylalanine

(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanoic acid

C12H16N2O3 (236.1160866)


Alanylphenylalanine is a dipeptide composed of alanine and phenylalanine. 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.

   

Phenylalanylalanine

(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanoic acid

C12H16N2O3 (236.1160866)


Phenylalanylalanine is a dipeptide composed of phenylalanine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Phenylalanylalanine (H-Phe-Ala-OH) is a dipeptide composed of phenylalanine and alanine. Phenylalanylalanine is an incomplete breakdown product of protein digestion or protein catabolism[1].

   

O-Desmethyl-lacosamide

(2R)-N-benzyl-2-acetamido-3-hydroxypropanamide

C12H16N2O3 (236.1160866)


O-Desmethyl-lacosamide is a metabolite of lacosamide. Lacosamide (formerly known as erlosamide) is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. The U.S. Food and Drug Administration accepted UCBs New Drug Application for lacosamide as of November 29, 2007, beginning the approval process for the drug. (Wikipedia)

   

N-Acetyl-5-methoxykynuramine

Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-

C12H16N2O3 (236.1160866)


N-Acetyl-5-methoxykynuramine (AMK) is a melatonin metabolite. Its direct precursor, acetyl-N-formyl-5-methoxykynurenamine (AFMK), is a product of melatonin metabolization in the brain (PMID: 23963910). AMK is a potent scavenger of several reactive oxygen species (ROS) such as hydroxyl, peroxyl, and carbonate radicals as well as the non-radical singlet oxygen (PMID: 14599344, 18643875).

   

Cyclobarbital

5-(cyclohex-1-en-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione

C12H16N2O3 (236.1160866)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

Phenylalanyl-Alanine

2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]propanoic acid

C12H16N2O3 (236.1160866)


   

3-morpholino-4-tetrahydro-1h-pyrrol-1-ylcyclobut-3-ene-1,2-dione

3-morpholino-4-tetrahydro-1h-pyrrol-1-ylcyclobut-3-ene-1,2-dione

C12H16N2O3 (236.1160866)


   
   

N5-benzoyl-DL-ornithine

N5-benzoyl-DL-ornithine

C12H16N2O3 (236.1160866)


   

(E)-3-<1-(1,1-dimethyl-3-oxobutyl)imidazol-4-yl>propenoic acid|(E)-3-[1-(1,1-dimethyl-3-oxobutyl)imidazol-4-yl]propenoic acid|N1-(1,1-Dimethyl-3-oxobutyl)-(E)-Urocanic acid

(E)-3-<1-(1,1-dimethyl-3-oxobutyl)imidazol-4-yl>propenoic acid|(E)-3-[1-(1,1-dimethyl-3-oxobutyl)imidazol-4-yl]propenoic acid|N1-(1,1-Dimethyl-3-oxobutyl)-(E)-Urocanic acid

C12H16N2O3 (236.1160866)


   

Ala-Phe

Alanylphenylalanine

C12H16N2O3 (236.1160866)


A dipeptide formed from L-alanyl and L-phenylalanine residues. CONFIDENCE standard compound; INTERNAL_ID 165

   

Carbetamex

(R)-1-(Ethylcarbamoyl)ethyl carbanilate

C12H16N2O3 (236.1160866)


CONFIDENCE standard compound; INTERNAL_ID 2603

   

Alanylphenylalanine

Alanylphenylalanine

C12H16N2O3 (236.1160866)


Annotation level-2

   
   
   
   

ALANYL-dl-PHENYLALANINE

ALANYL-dl-PHENYLALANINE

C12H16N2O3 (236.1160866)


   

Phe-Ala

2-(2-aminopropanamido)-3-phenylpropanoic acid

C12H16N2O3 (236.1160866)


A dipeptide formed from L-phenylalanine and L-alanine residues. Phenylalanylalanine (H-Phe-Ala-OH) is a dipeptide composed of phenylalanine and alanine. Phenylalanylalanine is an incomplete breakdown product of protein digestion or protein catabolism[1].

   

4-(2,2-DIMETHYL-PROPIONYLAMINO)-NICOTINIC ACID METHYL ESTER

4-(2,2-DIMETHYL-PROPIONYLAMINO)-NICOTINIC ACID METHYL ESTER

C12H16N2O3 (236.1160866)


   

3-amino-4-(oxolan-2-ylmethylamino)benzoic acid

3-amino-4-(oxolan-2-ylmethylamino)benzoic acid

C12H16N2O3 (236.1160866)


   

5-amino-2-(oxolan-2-ylmethylamino)benzoic acid

5-amino-2-(oxolan-2-ylmethylamino)benzoic acid

C12H16N2O3 (236.1160866)


   
   

TERT-BUTYL (4-ACETYLPYRIDIN-3-YL)CARBAMATE

TERT-BUTYL (4-ACETYLPYRIDIN-3-YL)CARBAMATE

C12H16N2O3 (236.1160866)


   

tert-butyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate

tert-butyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate

C12H16N2O3 (236.1160866)


   

2-(1-methylpiperidin-4-yl)-5-nitrophenol

2-(1-methylpiperidin-4-yl)-5-nitrophenol

C12H16N2O3 (236.1160866)


   

(1R,4R)-4-((2-Nitrophenyl)amino)cyclohexanol

(1R,4R)-4-((2-Nitrophenyl)amino)cyclohexanol

C12H16N2O3 (236.1160866)


   

2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole

2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole

C12H16N2O3 (236.1160866)


   

N-(3-HYDROXY-4-NITROPHENYL)-4-METHYLPIPERIDINE

N-(3-HYDROXY-4-NITROPHENYL)-4-METHYLPIPERIDINE

C12H16N2O3 (236.1160866)


   

tert-butyl N-(2-oxo-2-pyridin-3-ylethyl)carbamate

tert-butyl N-(2-oxo-2-pyridin-3-ylethyl)carbamate

C12H16N2O3 (236.1160866)


   
   

2-[(ANILINOCARBONYL)AMINO]-3-METHYLBUTANOIC ACID

2-[(ANILINOCARBONYL)AMINO]-3-METHYLBUTANOIC ACID

C12H16N2O3 (236.1160866)


   

4-(4-nitrophenethyl) morpholine

4-(4-nitrophenethyl) morpholine

C12H16N2O3 (236.1160866)


   

5-amino-2-morpholin-4-yl-benzoic acid methyl ester

5-amino-2-morpholin-4-yl-benzoic acid methyl ester

C12H16N2O3 (236.1160866)


   

Methyl 2-amino-4-(4-morpholinyl)benzoate

Methyl 2-amino-4-(4-morpholinyl)benzoate

C12H16N2O3 (236.1160866)


   
   

ETHYL 6-MORPHOLINOPYRIDINE-2-CARBOXYLATE

ETHYL 6-MORPHOLINOPYRIDINE-2-CARBOXYLATE

C12H16N2O3 (236.1160866)


   

4-(1-(4-NITROPHENYL)ETHYL)MORPHOLINE

4-(1-(4-NITROPHENYL)ETHYL)MORPHOLINE

C12H16N2O3 (236.1160866)


   

1-(2-methoxy-4-nitrophenyl)piperidine

1-(2-methoxy-4-nitrophenyl)piperidine

C12H16N2O3 (236.1160866)


   

5-methyl-dl-tryptophan hydrate

5-methyl-dl-tryptophan hydrate

C12H16N2O3 (236.1160866)


   

Ethyl 2-Morpholinoisonicotinate

Ethyl 2-Morpholinoisonicotinate

C12H16N2O3 (236.1160866)


   
   

METHYL 2-(PIVALOYLAMINO)NICOTINATE

METHYL 2-(PIVALOYLAMINO)NICOTINATE

C12H16N2O3 (236.1160866)


   

2-(2,2-Dimethyl-propionylamino)-isonicotinic acid methyl ester

2-(2,2-Dimethyl-propionylamino)-isonicotinic acid methyl ester

C12H16N2O3 (236.1160866)


   

beta-Ala-Phe

H-β-Ala-Phe-OH

C12H16N2O3 (236.1160866)


   

1-(2-(4-NITROPHENOXY)ETHYL)PYRROLIDINE

1-(2-(4-NITROPHENOXY)ETHYL)PYRROLIDINE

C12H16N2O3 (236.1160866)


   
   

N-(4-formyl-2-methoxypyridin-3-yl)pivalamide

N-(4-formyl-2-methoxypyridin-3-yl)pivalamide

C12H16N2O3 (236.1160866)


   

(1-(4-NITROPHENYL)PIPERIDIN-4-YL)METHANOL

(1-(4-NITROPHENYL)PIPERIDIN-4-YL)METHANOL

C12H16N2O3 (236.1160866)


   

(1-(4-Nitrophenyl)piperidin-3-yl)methanol

(1-(4-Nitrophenyl)piperidin-3-yl)methanol

C12H16N2O3 (236.1160866)


   

Acetamide,N-[4-(1,1-dimethylethyl)-2-nitrophenyl]-

Acetamide,N-[4-(1,1-dimethylethyl)-2-nitrophenyl]-

C12H16N2O3 (236.1160866)


   

N-(4-Acetamidophenyl)-2-ethoxyacetamide

N-(4-Acetamidophenyl)-2-ethoxyacetamide

C12H16N2O3 (236.1160866)


   

(1S)-1-(ethylcarbamoyl)ethyl N-phenylcarbamate

(1S)-1-(ethylcarbamoyl)ethyl N-phenylcarbamate

C12H16N2O3 (236.1160866)


   
   

4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-4-oxo-, ethyl ester

4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-4-oxo-, ethyl ester

C12H16N2O3 (236.1160866)


   

Ethyl 1-methyl-4-oxo-1,6,7,8-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylate

Ethyl 1-methyl-4-oxo-1,6,7,8-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylate

C12H16N2O3 (236.1160866)


   

Hexobarbital

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-

C12H16N2O3 (236.1160866)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators

   

cyclobarbital

cyclobarbital

C12H16N2O3 (236.1160866)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

(2S)-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}propanoate

(2S)-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}propanoate

C12H16N2O3 (236.1160866)


   

4-acetamido-N-(2-methoxyethyl)benzamide

4-acetamido-N-(2-methoxyethyl)benzamide

C12H16N2O3 (236.1160866)


   

2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol

2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol

C12H16N2O3 (236.1160866)


   

Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-

Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-

C12H16N2O3 (236.1160866)


   
   

H-DL-Ala-DL-Phe-OH

dl-Alanyl-dl-phenylalanine

C12H16N2O3 (236.1160866)


   

Phe-Ala zwitterion

Phe-Ala zwitterion

C12H16N2O3 (236.1160866)


A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Phe-Ala; major species at pH 7.3.

   

(2s)-2-amino-5-{[hydroxy(phenyl)methylidene]amino}pentanoic acid

(2s)-2-amino-5-{[hydroxy(phenyl)methylidene]amino}pentanoic acid

C12H16N2O3 (236.1160866)


   

2-amino-5-{[hydroxy(phenyl)methylidene]amino}pentanoic acid

2-amino-5-{[hydroxy(phenyl)methylidene]amino}pentanoic acid

C12H16N2O3 (236.1160866)


   

(2s)-2-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}propanoic acid

(2s)-2-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}propanoic acid

C12H16N2O3 (236.1160866)