| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:09 UTC |
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| Update Date | 2025-03-21 18:36:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113127 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C13H20N5O7PS |
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| Molecular Mass | 421.0821 |
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| SMILES | CSCCNc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O |
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| InChI Key | NFDPDDWMWZXBNW-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 | ribonucleoside 3'-phosphates |
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| Subclass | ribonucleoside 3'-phosphates |
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| Direct Parent | ribonucleoside 3'-phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | pentose phosphatemonosaccharideimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazoleribonucleoside 3'-phosphatealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundphosphoric acid esterthioethermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundamine |
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