| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:45:31 UTC |
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| Update Date | 2020-05-21 16:29:02 UTC |
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| BMDB ID | BMDB0001409 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | dUMP |
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| Description | dUMP, also known as deoxyuridylate or deoxy-UMP, belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. dUMP is an extremely weak basic (essentially neutral) compound (based on its pKa). dUMP exists in all living species, ranging from bacteria to humans. Within cattle, dUMP participates in a number of enzymatic reactions. In particular, dUMP can be biosynthesized from dCMP through the action of the enzyme deoxycytidylate deaminase. In addition, dUMP can be biosynthesized from deoxyuridine through the action of the enzyme thymidine kinase, cytosolic. In cattle, dUMP is involved in the metabolic pathway called the pyrimidine metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2'-Deoxyuridine 5'-monophosphate | ChEBI | | 2'-Deoxyuridine 5'-phosphate | ChEBI | | Deoxyuridine 5'-phosphate | ChEBI | | Deoxyuridine monophosphate | ChEBI | | Deoxyuridylate | ChEBI | | Deoxyuridylic acid | ChEBI | | 2'-Deoxyuridine 5'-monophosphoric acid | Generator | | 2'-Deoxyuridine 5'-phosphoric acid | Generator | | Deoxyuridine 5'-phosphoric acid | Generator | | Deoxyuridine monophosphoric acid | Generator | | 2'-Deoxy-5'-uridylate | HMDB | | 2'-Deoxy-5'-uridylic acid | HMDB | | 2'-Deoxyuridylate | HMDB | | 2'-Deoxyuridylic acid | HMDB | | Deoxy-UMP | HMDB | | Deoxyuridine 5'-monophosphate | HMDB | | 2'-Deoxyuridine-5'-monophosphate | HMDB | | 2'-Deoxyuridylic acid, disodium salt | HMDB |
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| Chemical Formula | C9H13N2O8P |
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| Average Molecular Weight | 308.1819 |
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| Monoisotopic Molecular Weight | 308.040951914 |
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| IUPAC Name | {[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid |
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| Traditional Name | 2'-deoxyuridylic acid |
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| CAS Registry Number | 964-26-1 |
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| SMILES | O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O |
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| InChI Identifier | InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
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| InChI Key | JSRLJPSBLDHEIO-SHYZEUOFSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Pyrimidine nucleotides |
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| Sub Class | Pyrimidine deoxyribonucleotides |
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| Direct Parent | Pyrimidine 2'-deoxyribonucleoside monophosphates |
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| Alternative Parents | |
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| Substituents | - Pyrimidine 2'-deoxyribonucleoside monophosphate
- Pyrimidone
- Monoalkyl phosphate
- Hydroxypyrimidine
- Hydropyrimidine
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Pyrimidine
- Alkyl phosphate
- Tetrahydrofuran
- Heteroaromatic compound
- Secondary alcohol
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Organopnictogen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected 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 | - Cytoplasm
- Mitochondria
- Nucleus
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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 |
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| Spectra | |
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