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Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:47:00 UTC |
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Update Date | 2020-06-04 20:14:23 UTC |
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BMDB ID | BMDB0001511 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Phosphocreatine |
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Description | Phosphocreatine, also known as creatine-p or neo-ton, 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. Phosphocreatine is possibly soluble (in water) and a very strong basic compound (based on its pKa). Phosphocreatine exists in all living organisms, ranging from bacteria to humans. |
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Structure | |
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Synonyms | Value | Source |
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Creatine phosphate | ChEBI | Creatine phosphic acid | ChEBI | N-(N-Phosphonoamido)sarcosine | ChEBI | N-(Phosphonoamidino)sarcosine | ChEBI | N-Phosphorylcreatine | ChEBI | N(Omega)-phosphonocreatine | ChEBI | Phosphorylcreatine | ChEBI | {[imino(phosphonoamino)methyl](methyl)amino}acetic acid | ChEBI | N-Phosphocreatine | Kegg | Creatine phosphoric acid | Generator | {[imino(phosphonoamino)methyl](methyl)amino}acetate | Generator | Creatine-p | HMDB | Creatine-phosphate | HMDB | Creatinephosphoric acid | HMDB | N-(Phosphonoamidino)-sarcosine | HMDB | N-Phosphorocreatine | HMDB | N-[Imino(phosphonoamino)methyl]-N-methyl-glycine | HMDB | Neo-ton | HMDB | p-Creatine | HMDB |
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Chemical Formula | C4H10N3O5P |
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Average Molecular Weight | 211.1131 |
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Monoisotopic Molecular Weight | 211.035806957 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 67-07-2 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) |
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InChI Key | DRBBFCLWYRJSJZ-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
- Organic phosphoric acid derivative
- Guanidine
- 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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Status | Detected and 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 | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | Not Available |
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Spectra |
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Spectra | |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | - Adipose Tissue
- Basal Ganglia
- Blood
- Brain
- Epidermis
- Fibroblasts
- Kidney
- Milk
- Neuron
- Placenta
- Skeletal Muscle
- Testis
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Pathways | |
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Normal Concentrations |
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Adipose Tissue | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Basal Ganglia | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Brain | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Epidermis | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Fibroblasts | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Kidney | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 60.35 +/- 28.96 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 50 +/- 3 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 46 +/- 4 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 30 +/- 1 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 59 +/- 4 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 49.33 +/- 52.66 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 38.24 +/- 39.15 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Neuron | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Placenta | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Skeletal Muscle | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Testis | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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Abnormal Concentrations |
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Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | All Mycobacterium avium subsp. paratuberculosis-infected | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | High dose Mycobacterium avium subsp. paratuberculosis-infected | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Low dose Mycobacterium avium subsp. paratuberculosis-infected | | details |
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External Links |
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HMDB ID | HMDB0001511 |
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DrugBank ID | DB13191 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB022665 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 567 |
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KEGG Compound ID | C02305 |
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BioCyc ID | CREATINE-P |
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BiGG ID | 1594794 |
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Wikipedia Link | Phosphocreatine |
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METLIN ID | 6288 |
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PubChem Compound | 587 |
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PDB ID | Not Available |
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ChEBI ID | 17287 |
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References |
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Synthesis Reference | Hou, Lixiang. Method for producing creatine phosphate. Faming Zhuanli Shenqing Gongkai Shuomingshu (2004), 7 pp. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Lu J, Antunes Fernandes E, Paez Cano AE, Vinitwatanakhun J, Boeren S, van Hooijdonk T, van Knegsel A, Vervoort J, Hettinga KA: Changes in milk proteome and metabolome associated with dry period length, energy balance, and lactation stage in postparturient dairy cows. J Proteome Res. 2013 Jul 5;12(7):3288-96. doi: 10.1021/pr4001306. Epub 2013 Jun 5. [PubMed:23738862 ]
- 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 ]
- Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. [PubMed:29565828 ]
- 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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