Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:19:12 UTC |
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Update Date | 2020-06-04 22:20:22 UTC |
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MCDB ID | BMDB0000064 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Creatine |
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Description | Creatine, also known as cosmocair C 100 or krebiozon, 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. Creatine is a drug which is used for nutritional supplementation, also for treating dietary shortage or imbalance. Creatine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Creatine exists in all living organisms, ranging from bacteria to humans. Creatine is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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((Amino(imino)methyl)(methyl)amino)acetic acid | ChEBI | (alpha-Methylguanido)acetic acid | ChEBI | (N-Methylcarbamimidamido)acetic acid | ChEBI | alpha-Methylguanidino acetic acid | ChEBI | Creatin | ChEBI | Kreatin | ChEBI | Methylglycocyamine | ChEBI | N-(Aminoiminomethyl)-N-methylglycine | ChEBI | N-[(e)-AMINO(imino)methyl]-N-methylglycine | ChEBI | N-Amidinosarcosine | ChEBI | N-Carbamimidoyl-N-methylglycine | ChEBI | N-Methyl-N-guanylglycine | ChEBI | ((Amino(imino)methyl)(methyl)amino)acetate | Generator | (a-Methylguanido)acetate | Generator | (a-Methylguanido)acetic acid | Generator | (alpha-Methylguanido)acetate | Generator | (Α-methylguanido)acetate | Generator | (Α-methylguanido)acetic acid | Generator | (N-Methylcarbamimidamido)acetate | Generator | a-Methylguanidino acetate | Generator | a-Methylguanidino acetic acid | Generator | alpha-Methylguanidino acetate | Generator | Α-methylguanidino acetate | Generator | Α-methylguanidino acetic acid | Generator | Cosmocair C 100 | HMDB | Creatine hydrate | HMDB | Krebiozon | HMDB | Methylguanidoacetate | HMDB | Methylguanidoacetic acid | HMDB | N-(Aminoiminomethyl)-N-methyl-glycine | HMDB | Phosphagen | HMDB | [[Amino(imino)methyl](methyl)amino]acetate | HMDB | [[Amino(imino)methyl](methyl)amino]acetic acid | HMDB |
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Chemical Formula | C4H9N3O2 |
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Average Molecular Weight | 131.1332 |
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Monoisotopic Molecular Weight | 131.069476547 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 57-00-1 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) |
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InChI Key | CVSVTCORWBXHQV-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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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 303 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 13.3 mg/mL at 18 °C | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | Not Available |
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Spectra |
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Concentrations |
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Detected but not Quantified | Not Applicable | | | details | Detected but not Quantified | Not Applicable | | | details | Detected and Quantified | 491 +/- 40 uM | | | details | Detected and Quantified | 537 +/- 30 uM | | | details | Detected and Quantified | 534 +/- 16 uM | | | details | Detected and Quantified | 510 +/- 42 uM | | | details | Detected and Quantified | 433 +/- 85 uM | | | details | Detected and Quantified | 428 +/- 115 uM | | | details | Detected and Quantified | 436 +/- 80 uM | | | details |
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External Links |
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HMDB ID | HMDB0000064 |
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DrugBank ID | DB00148 |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | FDB005403 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 566 |
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KEGG Compound ID | C00300 |
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BioCyc ID | CREATINE |
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BiGG ID | 34543 |
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Wikipedia Link | Creatine |
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METLIN ID | 7 |
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PubChem Compound | 586 |
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PDB ID | Not Available |
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ChEBI ID | 16919 |
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References |
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Synthesis Reference | Thalhammer, Franz; Gastner, Thomas. Preparation of creatine, creatine monohydrate and guanidinoacetic acid. Ger. Offen. (2007), 5pp. |
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Material Safety Data Sheet (MSDS) | Download (PDF) |
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General References | - Sundekilde UK, Poulsen NA, Larsen LB, Bertram HC: Nuclear magnetic resonance metabonomics reveals strong association between milk metabolites and somatic cell count in bovine milk. J Dairy Sci. 2013 Jan;96(1):290-9. doi: 10.3168/jds.2012-5819. Epub 2012 Nov 22. [PubMed:23182357 ]
- Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. [PubMed:25599412 ]
- O'Callaghan TF, Vazquez-Fresno R, Serra-Cayuela A, Dong E, Mandal R, Hennessy D, McAuliffe S, Dillon P, Wishart DS, Stanton C, Ross RP: Pasture Feeding Changes the Bovine Rumen and Milk Metabolome. Metabolites. 2018 Apr 6;8(2). pii: metabo8020027. doi: 10.3390/metabo8020027. [PubMed:29642378 ]
- A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
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