Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 01:47:03 UTC |
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Update date | 2015-07-21 06:59:34 UTC |
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Primary ID | FDB028903 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | N-Carbamoylsarcosine |
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Description | N-Carbamoylsarcosine is an intermediate in arginine and proline metabolism. It is also involved in a metabolic pathway for the degradation of creatinine. In this pathway, creatinine is not hydrolyzed back to creatine. Instead, it is deaminated to N-methylhydantoin, releasing an amonia molecule, by the action of creatinine deaminase (also known as creatinine iminohydrolase). N-methylhydantoin is then hydrolyzed to N-carbamoylsarcosine, by the action of N-methylhydantoin amidohydrolase, at the expense of one ATP molecule. N-carbamoylsarcosine is deaminated further to sarcosine by N-carbamoylsarcosine amidohydrolase, releasing a second ammonia molecule. In the last step of this pathway, sarcosine is hydrolyzed to glycine and formaldehyde, by either sarcosine dehydrogenase or sarcosine oxidase. [HMDB] |
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CAS Number | Not Available |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C4H8N2O3 |
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IUPAC name | 2-[(C-hydroxycarbonimidoyl)(methyl)amino]acetic acid |
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InChI Identifier | InChI=1S/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8) |
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InChI Key | SREKYKXYSQMOIB-UHFFFAOYSA-N |
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Isomeric SMILES | CN(CC(O)=O)C(O)=N |
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Average Molecular Weight | 132.1179 |
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Monoisotopic Molecular Weight | 132.053492132 |
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Classification |
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Description | Belongs to the class of organic compounds known as alpha amino acids and derivatives. These 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. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Alpha amino acids and derivatives |
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Alternative Parents | |
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Substituents | - Alpha-amino acid or derivatives
- Urea
- Carbonic acid derivative
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Source: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | N-Carbamoylsarcosine, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-059l-9420000000-26d7547dadb70ab4fc08 | Spectrum | Predicted GC-MS | N-Carbamoylsarcosine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0006-9100000000-f7eef7f30a71b2437a21 | Spectrum | Predicted GC-MS | N-Carbamoylsarcosine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | N-Carbamoylsarcosine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-4900000000-828e01495f55c3ba6112 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-006x-9100000000-d5aaf1e2016e0db5e1ef | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-9000000000-7b8ae0e68a69def64830 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001c-9300000000-64fe3175ab61247e7c9c | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000l-9100000000-3ef98ae24f347887d27a | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-116ba20e6e0fcf01e7db | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-9000000000-df2ca252dc264c27f09e | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9000000000-87f7d4792f3b20ebdd54 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006x-9000000000-1e503e67b415a9fae1b0 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000f-9100000000-20d310b987c7d3c62e72 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0076-9000000000-7debac7e5b881e478ecc | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-a06e49ac0ea6780c12d1 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 388495 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C01043 |
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Pubchem Compound ID | 439375 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 15737 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB12265 |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | CMS |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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