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Record Information |
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Version | 4.0 |
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Status | Detected but not Quantified |
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Creation Date | 2005-11-16 15:48:42 UTC |
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Update Date | 2019-01-11 19:14:49 UTC |
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HMDB ID | HMDB0000621 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | D-Ribulose |
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Description | Ribulose is a ketopentose - a monosaccharide containing five carbon atoms, and including a ketone functional group. D-ribulose is an intermediate in the fungal pathway for D-arabitol production. As the 1,5-bisphosphate, it combines with CO2 at the start of the photosynthetic process in green plants (carbon dioxide trap); d-ribulose is the epimer of d-xylulose. (Wikipedia). |
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Structure | |
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Synonyms | Value | Source |
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D-Arabinoketose | ChEBI | D-Arabinulose | ChEBI | D-erythro-2-Pentulose | ChEBI | D-erythro-Pent-2-ulose | ChEBI | D-Riboketose | ChEBI | D-Rul | ChEBI | D(-)-Ribulose | HMDB | D-Adonose | HMDB | D-Araboketose | HMDB | D-erythro-2-Keptopentose | HMDB | D-erythro-Pentulose | HMDB | D-Erythropentulose | HMDB | D-Ribosone | HMDB | Ribulose, (erythro-L)-isomer | MeSH | DL-erythro-Pentulose | MeSH | Ribulose | MeSH | Ribulose, (erythro-D)-isomer | MeSH |
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Chemical Formula | C5H10O5 |
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Average Molecular Weight | 150.1299 |
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Monoisotopic Molecular Weight | 150.05282343 |
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IUPAC Name | (3R,4R)-1,3,4,5-tetrahydroxypentan-2-one |
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Traditional Name | D-ribulose |
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CAS Registry Number | 488-84-6 |
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SMILES | OC[C@@H](O)[C@@H](O)C(=O)CO |
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InChI Identifier | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1 |
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InChI Key | ZAQJHHRNXZUBTE-NQXXGFSBSA-N |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Pentoses |
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Alternative Parents | |
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Substituents | - Pentose monosaccharide
- Beta-hydroxy ketone
- Acyloin
- Alpha-hydroxy ketone
- Secondary alcohol
- Ketone
- Polyol
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Carbonyl group
- Alcohol
- 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 | Route of exposure: Source: Biological location: |
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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 | |
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Spectra | Spectrum Type | Description | Splash Key | |
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GC-MS | GC-MS Spectrum - GC-MS (1 MEOX; 4 TMS) | splash10-0lk9-2940000000-d972512c3992f5630d13 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-0uyi-1920000000-4abe1c31075112542e5a | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-0uyi-1920000000-cb182758b043e586b8d1 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-0lk9-2940000000-d972512c3992f5630d13 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-0uyi-1920000000-4abe1c31075112542e5a | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-0uyi-1920000000-cb182758b043e586b8d1 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-03di-9000000000-5e0dfc74544a16cb6a2b | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive | splash10-00e9-9182200000-14fd007ef0237ffd6a29 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-000i-9200000000-afb0904788db599c35ed | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-02t9-7900000000-10c3cccbf8dbb87ffeeb | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-0229-9800000000-a764f771911e773c02ef | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-1900000000-9e2cd6df86b714a2a578 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9300000000-d2b653e8f893ae77c1e3 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dm-9000000000-a0e9bde284b6cf02f608 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000j-9400000000-eff46a0627a1f3901e27 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-06ri-9100000000-3ed3e568d42e85a3a856 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9000000000-6e049d13c9659949bd3e | View in MoNA |
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Biological Properties |
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Cellular Locations | - Cytoplasm (predicted from logP)
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Biospecimen Locations | |
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Tissue Locations | |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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Feces | Detected but not Quantified | | Adult (>18 years old) | Both | Colorectal Cancer | | details |
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Associated Disorders and Diseases |
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Disease References | Colorectal cancer |
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- Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
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Associated OMIM IDs | |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | FDB004270 |
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KNApSAcK ID | C00001131 |
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Chemspider ID | 133316 |
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KEGG Compound ID | C00309 |
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BioCyc ID | D-RIBULOSE |
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BiGG ID | 34569 |
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Wikipedia Link | Ribulose |
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METLIN ID | 5594 |
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PubChem Compound | 151261 |
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PDB ID | Not Available |
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ChEBI ID | 17173 |
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References |
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Synthesis Reference | Drueckhammer, D.G.; Durrwachter, J.R.; Pederson, R.L.; Crans, D.C.; Wong, C.H. Reversible and in situ formation of organic arsenates and vanadates as organic phosphate mimics in enzymatic-reactions - mechanistic investigation of aldol reactions and synthetic applications. J.Org. Chem. 1989, 54, 70. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Huck JH, Roos B, Jakobs C, van der Knaap MS, Verhoeven NM: Evaluation of pentitol metabolism in mammalian tissues provides new insight into disorders of human sugar metabolism. Mol Genet Metab. 2004 Jul;82(3):231-7. [PubMed:15234337 ]
- Ito M, Amano H, Yanagisawa I: Ribulose-peptide in human semen: II. Synthesis. Arch Androl. 1978;1(1):77-82. [PubMed:570380 ]
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