| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:21:43 UTC |
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| Update Date | 2020-04-22 15:45:36 UTC |
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| BMDB ID | BMDB0011615 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 8-Oxo-dGTP |
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| Description | 8-Oxo-dGTP belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. 8-Oxo-dGTP is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| ({[({[(3S,5S)-5-(6,8-dihydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonate | Generator |
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| Chemical Formula | C10H16N5O14P3 |
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| Average Molecular Weight | 523.18 |
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| Monoisotopic Molecular Weight | 522.990661209 |
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| IUPAC Name | ({[({[(3S,5S)-5-(6,8-dihydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid |
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| Traditional Name | ({[(3S,5S)-5-(6,8-dihydroxy-2-imino-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]1(O)C[C@]([H])(OC1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C(O)=NC2=C1NC(=N)N=C2O |
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| InChI Identifier | InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4?,5-/m0/s1 |
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| InChI Key | BUZOGVVQWCXXDP-DSDZBIDZSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate 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 | Purine nucleotides |
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| Sub Class | Purine deoxyribonucleotides |
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| Direct Parent | Purine 2'-deoxyribonucleoside triphosphates |
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| Alternative Parents | |
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| Substituents | - Purine 2'-deoxyribonucleoside triphosphate
- Purine
- Imidazopyrimidine
- Hydroxypyrimidine
- Monoalkyl phosphate
- Alkyl phosphate
- Pyrimidine
- Phosphoric acid ester
- Organic phosphoric acid derivative
- N-substituted imidazole
- Heteroaromatic compound
- Tetrahydrofuran
- Imidazole
- Azole
- Secondary alcohol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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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 | Not Available |
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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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