Record Information |
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Version | 4.0 |
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Status | Expected but not Quantified |
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Creation Date | 2013-05-17 01:01:02 UTC |
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Update Date | 2017-12-20 20:31:22 UTC |
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HMDB ID | HMDB0060415 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 6-Thioguanosine monophosphate |
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Description | 6-Thioguanosine monophosphate is a metabolite of tioguanine. Tioguanine, formerly thioguanine, is a drug that is used in the treatment of cancer. It belongs to the family of drugs called antimetabolites. It is a guanine analog. (Wikipedia) Norcodeine |
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Structure | |
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Synonyms | Value | Source |
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6-TG Nucleotide | MeSH | 6-Thioguanine nucleotide | MeSH | 6-Thioguanosine-5'-phosphate | MeSH |
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Chemical Formula | C10H14N5O7PS |
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Average Molecular Weight | 379.286 |
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Monoisotopic Molecular Weight | 379.035155029 |
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IUPAC Name | {[(2R,3S,4R,5R)-5-(2-amino-6-sulfanylidene-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid |
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Traditional Name | [(2R,3S,4R,5R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | NC1=NC(=S)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1 |
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InChI Key | BPZXYEUJBFHASJ-UUOKFMHZSA-N |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. |
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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 monophosphates |
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Alternative Parents | |
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Substituents | - Purine ribonucleoside monophosphate
- Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- Monosaccharide phosphate
- Pentose monosaccharide
- Purinethione
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Monoalkyl phosphate
- Pyrimidinethione
- Alkyl phosphate
- Pyrimidine
- Phosphoric acid ester
- Monosaccharide
- N-substituted imidazole
- Organic phosphoric acid derivative
- Tetrahydrofuran
- Azole
- Imidazole
- Heteroaromatic compound
- Secondary alcohol
- 1,2-diol
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- Primary amine
- Alcohol
- Organosulfur compound
- Organooxygen compound
- 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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Disposition | Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Biological role: |
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Physical Properties |
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State | Not Available |
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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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