| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:00 UTC |
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| Update Date | 2025-03-21 18:28:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074166 |
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| Frequency | 40.1 |
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| Structure | |
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| Chemical Formula | C15H28N2O28P6 |
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| Molecular Mass | 869.9254 |
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| SMILES | O=c1ccn(C2CC(O)C(COP(=O)(O)OC3C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3OP(=O)(O)O)O2)c(=O)[nH]1 |
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| InChI Key | IFCIRHWOSBPMCS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | pyrimidine nucleotides |
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| Subclass | pyrimidine deoxyribonucleotides |
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| Direct Parent | pyrimidine 2'-deoxyribonucleoside monophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativesinositol phosphateslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidoneinositol phosphatepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcyclitol or derivativesoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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