Exact Mass: 113.0408

Exact Mass Matches: 113.0408

Found 100 metabolites which its exact mass value is equals to given mass value 113.0408, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

1-Pyrroline-5-carboxylic acid

delta-1-Pyrroline-5-carboxylate, 14C-labeled, (+-)-isomer

C5H7NO2 (113.0477)


1-Pyrroline-5-carboxylic acid (CAS: 2906-39-0) is an enamine or an imino acid that forms upon the spontaneous dehydration of L-glutamate gamma-semialdehyde in aqueous solutions. The stereoisomer (S)-1-pyrroline-5-carboxylate is an intermediate in glutamate metabolism, arginine degradation, and proline biosynthesis and degradation. It can also be converted into or be formed from three amino acids: L-glutamate, L-ornithine, and L-proline. In particular, it is synthesized via the oxidation of proline by pyrroline-5-carboxylate reductase 1 (PYCR1) (EC 1.5.1.2) or by proline dehydrogenase (PRODH) (EC 1.5.99.8). It is hydrolyzed into L-glutamate by delta-1-pyrroline-5-carboxylate dehydrogenase (ALDH4A1) (EC 1.5.1.12). It is also one of the few metabolites that can act as a precursor to other metabolites of both the urea cycle and the tricarboxylic acid (TCA) cycle. Under certain conditions, pyrroline-5-carboxylate can act as a neurotoxin and a metabotoxin. A neurotoxin causes damage to nerve cells and nerve tissues. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of pyrroline-5-carboxylate are associated with at least five inborn errors of metabolism, including hyperprolinemia type I, hyperprolinemia type II, iminoglycinuria, prolinemia type II, and pyruvate carboxylase deficiency. Hyperprolinemia type II results in high levels of pyrroline-5-carboxylate. People with hyperprolinemia type II have signs and symptoms that vary in severity, but they are more likely than type I to have seizures or intellectual disability. Pyrroline-5-carboxylate is highly reactive and excess quantities have been shown to cause cell death and apoptosis (PMID: 15548746). (s)-1-pyrroline-5-carboxylate, also known as delta-1-pyrroline-5-carboxylate, (+-)-isomer, belongs to alpha amino acids and derivatives class of compounds. Those are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof (s)-1-pyrroline-5-carboxylate is soluble (in water) and a moderately acidic compound (based on its pKa). (s)-1-pyrroline-5-carboxylate can be found in a number of food items such as beech nut, mango, oyster mushroom, and other bread, which makes (s)-1-pyrroline-5-carboxylate a potential biomarker for the consumption of these food products (s)-1-pyrroline-5-carboxylate may be a unique E.coli metabolite.

   

1-Pyrroline-2-carboxylic acid

3,4-dihydro-2H-pyrrol-1-ium-5-carboxylate

C5H7NO2 (113.0477)


1-Pyrroline-2-carboxylic acid is a terminal product of D-proline metabolism. Specifically D-proline is converted to 1-Pyrroline-2-carboxylic acid via D-amino acid oxidase. This spontaneously breaks down to 2-oxo-5-amino-valerate. [HMDB] 1-Pyrroline-2-carboxylic acid is a terminal product of D-proline metabolism. Specifically D-proline is converted to 1-Pyrroline-2-carboxylic acid via D-amino acid oxidase. This spontaneously breaks down to 2-oxo-5-amino-valerate.

   

Glutarimide

Glutarimide calcium salt

C5H7NO2 (113.0477)


D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors

   

1-Pyrroline-5-carboxylic acid

3,4-dihydro-2H-pyrrole-2-carboxylic acid

C5H7NO2 (113.0477)


A 1-pyrrolinecarboxylic acid that is 1-pyrroline in which one of the hydrogens at position 5 is replaced by a carboxy group. The stereoisomer (S)-1-pyrroline-5-carboxylate (also referred to as L-P5C) is an intermediate metabolite in the biosynthesis and degradation of proline and arginine.[4][5][6] In prokaryotic proline biosynthesis, GSA is synthesized from γ-glutamyl phosphate by the enzyme γ-glutamyl phosphate reductase. In most eukaryotes, GSA is synthesised from the amino acid glutamate by the bifunctional enzyme 1-pyrroline-5-carboxylate synthase (P5CS). The human P5CS is encoded by the ALDH18A1 gene.[7][8] The enzyme pyrroline-5-carboxylate reductase converts P5C into proline. In proline degradation, the enzyme proline dehydrogenase produces P5C from proline, and the enzyme 1-pyrroline-5-carboxylate dehydrogenase converts GSA to glutamate. In many prokaryotes, proline dehydrogenase and P5C dehydrogenase form a bifunctional enzyme that prevents the release of P5C during proline degradation. 1-Pyrroline-5-carboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2906-39-0 (retrieved 2024-07-09) (CAS RN: 2906-39-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

N-propargylglycine

(2S)-2-Amino-4-pentynoic acid

C5H7NO2 (113.0477)


A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens has been replaced by an ethynyl group. It causes the irreversible inactivation of gamma-cystathionase (also known as cystathionine gamma-lyase) and is used as an affinity labeling reagent for gamma-cystathionase and other enzymes. D004791 - Enzyme Inhibitors (S)-2-Aminopent-4-ynoic acid is a synthetic amino acid. (S)-2-Aminopent-4-ynoic acid can be used in synthesis of folate-conjugates and corresponding metal-chelate complexes[1]. (S)-2-Aminopent-4-ynoic acid is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

2,3-Dihydro-1H-pyrrole-2-carboxylic acid

2,3-Dihydro-1H-pyrrole-2-carboxylic acid

C5H7NO2 (113.0477)


   

2,5-Dihydro-1H-pyrrole-2-carboxylic acid

3,4-Dehydroproline, L-(+) tartrate salt, (S)-isomer

C5H7NO2 (113.0477)


   

(2s)-5-Oxopyrrolidine-2-carbaldehyde

(2s)-5-Oxopyrrolidine-2-carbaldehyde

C5H7NO2 (113.0477)


   

2-(Prop-2-ynylamino)acetic acid

2-[(prop-2-yn-1-yl)amino]acetic acid

C5H7NO2 (113.0477)


   

DL-Propargylglycine

Propargylglycine hydrochloride

C5H7NO2 (113.0477)


   

N-Methylsuccinimide

1-methylpyrrolidine-2,5-dione

C5H7NO2 (113.0477)


   

1-Methylpyrrole-2,5-diol

1-methyl-1H-pyrrole-2,5-diol

C5H7NO2 (113.0477)


   

NSC177850

NSC177850

C5H7NO2 (113.0477)


   

Mononitrile-Pentanedioic acid

Mononitrile-Pentanedioic acid

C5H7NO2 (113.0477)


   

1-Cyano-2-hydroxymethylprop-1-ene-3-ol

1-Cyano-2-hydroxymethylprop-1-ene-3-ol

C5H7NO2 (113.0477)


   

5-Hydroxy-3-methyl-3-pyrrolin-2-one

5-Hydroxy-3-methyl-3-pyrrolin-2-one

C5H7NO2 (113.0477)


   

1-Cyano-2-hydroxymethylprop-2-ene-1-ol

1-Cyano-2-hydroxymethylprop-2-ene-1-ol

C5H7NO2 (113.0477)


   

Ac,nitrile-(()-2-Hydroxypropanoic acid

Ac,nitrile-(()-2-Hydroxypropanoic acid

C5H7NO2 (113.0477)


   

4-Methoxy-3-pyrrolin-2-one

4-Methoxy-3-pyrrolin-2-one

C5H7NO2 (113.0477)


   

(S)-2-Amino-4-pentynoic acid|(S)-alpha-propargylglycine|(??)-2-Amino-4-pentynoic acid|B,HCl-(??)-2-Amino-4-pentynoic acid|H-Pra-OH|L-PAG|L-propargyl glycine|L-propargylglycine|Propargylglycine

(S)-2-Amino-4-pentynoic acid|(S)-alpha-propargylglycine|(??)-2-Amino-4-pentynoic acid|B,HCl-(??)-2-Amino-4-pentynoic acid|H-Pra-OH|L-PAG|L-propargyl glycine|L-propargylglycine|Propargylglycine

C5H7NO2 (113.0477)


   

5-hydroxy-5,6-dihydro-2-pyridone

5-hydroxy-5,6-dihydro-2-pyridone

C5H7NO2 (113.0477)


   

D1-pyrroline-5-carboxylic acid

D1-pyrroline-5-carboxylic acid

C5H7NO2 (113.0477)


   

DL-Propargylglycine

2-amino-4-pentynoic acid, monohydrochloride

C5H7NO2 (113.0477)


D004791 - Enzyme Inhibitors

   

Piperidine-2,4-dione

Piperidine-2,4-dione

C5H7NO2 (113.0477)


   

Pyrotartrimide

Pyrotartrimide

C5H7NO2 (113.0477)


   

(5-METHYLOXAZOL-2-YL)METHANOL

(5-METHYLOXAZOL-2-YL)METHANOL

C5H7NO2 (113.0477)


   

2H-Pyrrol-2-one,1,5-dihydro-4-methoxy-

2H-Pyrrol-2-one,1,5-dihydro-4-methoxy-

C5H7NO2 (113.0477)


   

2-Isoxazol-4-yl-ethanol

2-Isoxazol-4-yl-ethanol

C5H7NO2 (113.0477)


   

3 (2H)-Isoxazolone, 4,5-dimethyl-

3 (2H)-Isoxazolone, 4,5-dimethyl-

C5H7NO2 (113.0477)


   

2-Amino(2H4)ethanesulfinic acid

2-Amino(2H4)ethanesulfinic acid

C2H3D4NO2S (113.0449)


   

2-Butanone,4-isocyanato-(9CI)

2-Butanone,4-isocyanato-(9CI)

C5H7NO2 (113.0477)


   

3-Methyl-4-isoxazolemethanol

3-Methyl-4-isoxazolemethanol

C5H7NO2 (113.0477)


   

piperidine-3,5-dione

piperidine-3,5-dione

C5H7NO2 (113.0477)


   

METHYL 3-ISOCYANOPROPIONATE

METHYL 3-ISOCYANOPROPIONATE

C5H7NO2 (113.0477)


   

H-D-Pra-OH

H-D-Pra-OH

C5H7NO2 (113.0477)


   

5-Fluoro-4-pyrimidinamine

5-Fluoro-4-pyrimidinamine

C4H4FN3 (113.0389)


   

4-methoxy-3-oxobutanenitrile

4-methoxy-3-oxobutanenitrile

C5H7NO2 (113.0477)


   

2-Cyano-2-methylpropanoic acid

2-Cyano-2-methylpropanoic acid

C5H7NO2 (113.0477)


   

2-FLUORO-4-PYRIMIDINEAMINE

2-FLUORO-4-PYRIMIDINEAMINE

C4H4FN3 (113.0389)


   

3,4-Dimethylisoxazol-5-ol

3,4-Dimethylisoxazol-5-ol

C5H7NO2 (113.0477)


   

3,3-Dimethoxy-2-propenenitrile

3,3-Dimethoxy-2-propenenitrile

C5H7NO2 (113.0477)


   

5-fluoropyrimidin-2-amine

5-fluoropyrimidin-2-amine

C4H4FN3 (113.0389)


   

1H-Pyrrole-3-carboxylicacid,2,5-dihydro-(9CI)

1H-Pyrrole-3-carboxylicacid,2,5-dihydro-(9CI)

C5H7NO2 (113.0477)


   

Ethyl cyanoacetate

Ethyl cyanoacetate

C5H7NO2 (113.0477)


   

4-Methyloxazole-5-Methanol

4-Methyloxazole-5-Methanol

C5H7NO2 (113.0477)


   

(5-methylisoxazol-3-yl)methanol

(5-methylisoxazol-3-yl)methanol

C5H7NO2 (113.0477)


   

3(2H)-ISOXAZOLONE, 5-ETHYL-

3(2H)-ISOXAZOLONE, 5-ETHYL-

C5H7NO2 (113.0477)


   

2-(Cyanomethyl)-1,3-dioxolane

2-(Cyanomethyl)-1,3-dioxolane

C5H7NO2 (113.0477)


   

3-Methyl-5-Isoxazolemethanol

3-Methyl-5-Isoxazolemethanol

C5H7NO2 (113.0477)


   

Ethyl isocyanoacetate

Ethyl isocyanoacetate

C5H7NO2 (113.0477)


   

3,3,3-Trifluoro-1-propanamine

3,3,3-Trifluoro-1-propanamine

C3H6F3N (113.0452)


   

1-acetylazetidin-3-one

1-acetylazetidin-3-one

C5H7NO2 (113.0477)


   

3-Methoxy-5-Methyl-isoxazole

3-Methoxy-5-Methyl-isoxazole

C5H7NO2 (113.0477)


   

(2-methyloxazol-4-yl)methanol

(2-methyloxazol-4-yl)methanol

C5H7NO2 (113.0477)


   

3-FLUORO-PROPYLAMINEHYDROCHLORIDE

3-FLUORO-PROPYLAMINEHYDROCHLORIDE

C3H9ClFN (113.0408)


   

Methyl 3-Cyanopropionate

Methyl 3-Cyanopropionate

C5H7NO2 (113.0477)


   

2-fluoropyrimidin-5-amine

2-fluoropyrimidin-5-amine

C4H4FN3 (113.0389)


   

5-Methylpyrrolidine-2,4-dione

5-Methylpyrrolidine-2,4-dione

C5H7NO2 (113.0477)


   

5-Ethoxyoxazole

5-Ethoxyoxazole

C5H7NO2 (113.0477)


   

3,4-dimethyl-2H-1,2-oxazol-5-one

3,4-dimethyl-2H-1,2-oxazol-5-one

C5H7NO2 (113.0477)


   

2,5-Piperidinedione

Piperidine-2,5-dione

C5H7NO2 (113.0477)


   

3,4-DIMETHYLISOXAZOL-5(4H)-ONE

3,4-DIMETHYLISOXAZOL-5(4H)-ONE

C5H7NO2 (113.0477)


   

4-Cyanobutanoic acid

4-Cyanobutanoic acid

C5H7NO2 (113.0477)


   

L-2,2,2-Trifluoro-1-(methyl)ethylamine

L-2,2,2-Trifluoro-1-(methyl)ethylamine

C3H6F3N (113.0452)


   

3,4-Dehydro-L-proline

3,4-Dehydro-L-proline

C5H7NO2 (113.0477)


   

1,1,1-Trifluoro-2-propanamine

1,1,1-Trifluoro-2-propanamine

C3H6F3N (113.0452)


   

5-Oxoprolinal

5-Oxoprolinal

C5H7NO2 (113.0477)


   

(2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid

(2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C5H7NO2 (113.0477)


   

4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile

4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile

C5H7NO2 (113.0477)


   

Propargylglycine

Propargylglycine

C5H7NO2 (113.0477)


   

2H-tetrazole-5-carboxamide

2H-tetrazole-5-carboxamide

C2H3N5O (113.0338)


   

4-(methylamino)furan-2(5H)-one

4-(methylamino)furan-2(5H)-one

C5H7NO2 (113.0477)


   

3-cyano-L-alaninate

3-cyano-L-alaninate

C4H5N2O2- (113.0351)


The conjugate base of 3-cyano-L-alanine; major species at pH 7.3.

   

2-Amino-3-hydroxycyclopentenone

2-Amino-3-hydroxycyclopentenone

C5H7NO2 (113.0477)


   

3,4-Didehydro-proline

3,4-Didehydro-proline

C5H7NO2 (113.0477)


   

2-(Prop-2-ynylamino)acetate

2-(Prop-2-ynylamino)acetate

C5H7NO2 (113.0477)


   

2-Aminocyclopentanedione

2-Aminocyclopentanedione

C5H7NO2 (113.0477)


   

Ethynylalanine

Ethynylalanine

C5H7NO2 (113.0477)


   

(2E)-2-aminopenta-2,4-dienoic acid

(2E)-2-aminopenta-2,4-dienoic acid

C5H7NO2 (113.0477)


   

L-propargylglycine zwitterion

L-propargylglycine zwitterion

C5H7NO2 (113.0477)


An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy group to the amino group of L-propargylglycine. The major species at pH 7.3.

   

N-(cyanomethyl)glycinate

N-(cyanomethyl)glycinate

C4H5N2O2- (113.0351)


   

1,3-Dihydroxypyridine

1,3-Dihydroxypyridine

C5H7NO2 (113.0477)


   

(3R)-3-isocyanobutanoic acid

(3R)-3-isocyanobutanoic acid

C5H7NO2 (113.0477)


   

Glutarimide

Glutarimide

C5H7NO2 (113.0477)


D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors

   

3,4-dihydro-2H-pyrrole-2-carboxylic acid

3,4-dihydro-2H-pyrrole-2-carboxylic acid

C5H7NO2 (113.0477)


   

1-Pyrroline-2-carboxylic acid

3,4-Dihydro-2H-pyrrole-5-carboxylic acid

C5H7NO2 (113.0477)


The product resulting from formal oxidation of DL-proline by loss of hydrogen from the nitrogen and from the carbon alpha to the carboxylic acid, with the formation of a C=N bond.

   

(S)-1-Pyrroline-5-carboxylate

(S)-1-Pyrroline-5-carboxylate

C5H7NO2 (113.0477)


   

1-pyrroline-2-carboxylic acid zwitterion

1-pyrroline-2-carboxylic acid zwitterion

C5H7NO2 (113.0477)


A zwitterion resulting from the transfer of a proton from the carboxy group to the nitrogen of 1-pyrroline-2-carboxylic acid; major species at pH 7.3.

   

(R)-1-pyrroline-5-carboxylic acid

(R)-1-pyrroline-5-carboxylic acid

C5H7NO2 (113.0477)


A 1-pyrroline-5-carboxylic acid in which the chiral centre has R configuration.

   

(S)-1-Pyrroline-5-carboxylic acid

(S)-1-Pyrroline-5-carboxylic acid

C5H7NO2 (113.0477)


A 1-pyrroline-5-carboxylic acid in which the chiral centre has S configuration.

   

Pyrrolinecarboxylic acid

Pyrrolinecarboxylic acid

C5H7NO2 (113.0477)


   

4-methoxy-5h-pyrrol-2-ol

4-methoxy-5h-pyrrol-2-ol

C5H7NO2 (113.0477)


   

5,6-dihydropyridine-2,5-diol

5,6-dihydropyridine-2,5-diol

C5H7NO2 (113.0477)


   

1-cyano-2-hydroxymethylprop-2-ene-1-ol

NA

C5H7NO2 (113.0477)


{"Ingredient_id": "HBIN002459","Ingredient_name": "1-cyano-2-hydroxymethylprop-2-ene-1-ol","Alias": "NA","Ingredient_formula": "C5H7NO2","Ingredient_Smile": "C=C(CO)C(C#N)O","Ingredient_weight": "113.11 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4453","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5316228","DrugBank_id": "NA"}

   

(5r)-3-methyl-5h-pyrrole-2,5-diol

(5r)-3-methyl-5h-pyrrole-2,5-diol

C5H7NO2 (113.0477)


   

3-methyl-2h-pyrrole-2,5-diol

3-methyl-2h-pyrrole-2,5-diol

C5H7NO2 (113.0477)


   

(2r)-3-methyl-2h-pyrrole-2,5-diol

(2r)-3-methyl-2h-pyrrole-2,5-diol

C5H7NO2 (113.0477)


   

(5r)-5,6-dihydropyridine-2,5-diol

(5r)-5,6-dihydropyridine-2,5-diol

C5H7NO2 (113.0477)


   

3-methyl-5h-pyrrole-2,5-diol

3-methyl-5h-pyrrole-2,5-diol

C5H7NO2 (113.0477)


   

4-oxa-1-azabicyclo[3.2.0]heptan-7-one

4-oxa-1-azabicyclo[3.2.0]heptan-7-one

C5H7NO2 (113.0477)