| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:26:28 UTC |
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| Update Date | 2020-05-21 16:27:08 UTC |
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| BMDB ID | BMDB0000189 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Inosine triphosphate |
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| Description | Inosine triphosphate belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. Inosine triphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Inosine triphosphate exists in all living species, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2'-Inosine-5'-triphosphate | ChEBI | | Inosine 5'-triphosphate | ChEBI | | Inosine tripolyphosphate | ChEBI | | O(5')-(Tetrahydroxytriphosphoryl)inosine | ChEBI | | 2'-Inosine-5'-triphosphoric acid | Generator | | Inosine 5'-triphosphoric acid | Generator | | Inosine tripolyphosphoric acid | Generator | | Inosine triphosphoric acid | Generator | | 5'-ITP | HMDB | | 5-ITP | HMDB | | Inosine 5 | HMDB | | Inosine 5'-(tetrahydrogen triphosphate) | HMDB | | Inosine 5(tetrahydrogen triphosphate) | HMDB | | Inosine 5-triphopshate | HMDB | | ITP | HMDB | | ITT | HMDB | | Triphosphate, inosine | MeSH, HMDB | | Inosine triphosphate | ChEBI |
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| Chemical Formula | C10H15N4O14P3 |
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| Average Molecular Weight | 508.1658 |
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| Monoisotopic Molecular Weight | 507.979760744 |
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| IUPAC Name | ({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid |
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| Traditional Name | ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid |
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| CAS Registry Number | 132-06-9 |
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| SMILES | O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2O |
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| InChI Identifier | InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 |
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| InChI Key | HAEJPQIATWHALX-KQYNXXCUSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. |
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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 ribonucleotides |
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| Direct Parent | Purine ribonucleoside triphosphates |
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| Alternative Parents | |
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| Substituents | - Purine ribonucleoside triphosphate
- Purine ribonucleoside monophosphate
- Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- 6-oxopurine
- Hypoxanthine
- Monosaccharide phosphate
- Imidazopyrimidine
- Purine
- Pyrimidone
- Monoalkyl phosphate
- Alkyl phosphate
- Pyrimidine
- Phosphoric acid ester
- Monosaccharide
- Organic phosphoric acid derivative
- N-substituted imidazole
- Tetrahydrofuran
- Vinylogous amide
- Azole
- Imidazole
- Heteroaromatic compound
- Secondary alcohol
- 1,2-diol
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Alcohol
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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 | 903.5 mg/mL | 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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