Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:19:56 UTC |
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Update Date | 2020-05-19 22:01:34 UTC |
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BMDB ID | BMDB0000128 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Guanidoacetic acid |
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Description | Guanidoacetic acid, also known as guanidoacetic acid or Guanidoacetic acid, 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. Guanidoacetic acid is possibly soluble (in water) and a very strong basic compound (based on its pKa). Guanidoacetic acid exists in all living organisms, ranging from bacteria to humans. Guanidoacetic acid participates in a number of enzymatic reactions, within cattle. In particular, Guanidoacetic acid and orotidylic acid can be biosynthesized from glycine and L-arginine through the action of the enzyme glycine amidinotransferase, mitochondrial. In addition, Guanidoacetic acid and S-adenosylhomocysteine can be converted into S-adenosylmethionine and creatine; which is mediated by the enzyme guanidoacetic acid N-methyltransferase. In cattle, guanidoacetic acid is involved in the metabolic pathway called the glycine and serine metabolism pathway. Guanidoacetic acid is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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Glycocyamine | ChEBI | Guanidinoacetate | ChEBI | N-(Carbamimidoyl)glycine | ChEBI | N-[Amino(imino)methyl]glycine | ChEBI | N-Amidinoglycine | ChEBI | Guanidinoacetic acid | Kegg | Guanidoacetate | Generator | (Carboxymethyl)-guanidine | HMDB | 2-[[Amino(imino)methyl]amino]acetate | HMDB | 2-[[Amino(imino)methyl]amino]acetic acid | HMDB | a-Guanidinoacetate | HMDB | a-Guanidinoacetic acid | HMDB | alpha-Guanidinoacetate | HMDB | alpha-Guanidinoacetic acid | HMDB | b-Guanidinoacetate | HMDB | b-Guanidinoacetic acid | HMDB | beta-Guanidinoacetate | HMDB | beta-Guanidinoacetic acid | HMDB | Betacyamine | HMDB | Betasyamine | HMDB | Guanidineacetate | HMDB | Guanidineacetic acid | HMDB | Guanidylacetate | HMDB | Guanidylacetic acid | HMDB | Guanyl glycine | HMDB | N-Amidino-glycine | HMDB | [(Aminoiminomethyl)amino]-acetate | HMDB | [(Aminoiminomethyl)amino]-acetic acid | HMDB | Glycocyamine, 2-(14)C-labeled | HMDB | Glycocyamine, ion (1-) | HMDB | Glycocyamine monohydrochloride | HMDB |
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Chemical Formula | C3H7N3O2 |
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Average Molecular Weight | 117.1066 |
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Monoisotopic Molecular Weight | 117.053826483 |
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IUPAC Name | 2-carbamimidamidoacetic acid |
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Traditional Name | glycocyamine |
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CAS Registry Number | 352-97-6 |
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SMILES | NC(=N)NCC(O)=O |
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InChI Identifier | InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) |
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InChI Key | BPMFZUMJYQTVII-UHFFFAOYSA-N |
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Chemical Taxonomy |
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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
- Guanidine
- Carboximidamide
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Imine
- 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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Status | Detected but not Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 3.6 mg/mL at 15 °C | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-00di-0901000000-4a89fe463d29379e6339 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-00di-0911000000-542baca9dcca73225bf0 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-006t-0911200000-bb7ea068f193f39c283b | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-00di-0901000000-4a89fe463d29379e6339 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-00di-0911000000-542baca9dcca73225bf0 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-006t-0911200000-bb7ea068f193f39c283b | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0006-9100000000-c703c631a81e400681bd | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-00dl-9700000000-1dae820000c4f9ec1662 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-016r-7900000000-4777d20e1ab29262427e | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-00dl-9000000000-a1b5501bf0f7a9b0489d | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-0006-9100000000-b61a48cf749b57a2c77e | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive | splash10-0gk9-7900000000-5ba298286886c1fabdf5 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative | splash10-00di-9100000000-a5b77a913821d637210f | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , negative | splash10-00di-9100000000-a5b77a913821d637210f | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , positive | splash10-0gk9-7900000000-5ba298286886c1fabdf5 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-014i-6900000000-4d655a894c702bdfdb59 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-4900000000-1b831140a3071dd98e0c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-9300000000-b27aea734be08f5d2ddc | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dl-9000000000-dea2f28faa5430d7e56f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00xr-9500000000-1ba345c7064e9cb70f9c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-9000000000-6864d4355d3462fbc69f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-1c36299ab8746bbf67a5 | View in MoNA |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | View in JSpectraViewer |
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