| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:50 UTC |
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| Update Date | 2025-03-25 00:59:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235257 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N5O9P |
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| Molecular Mass | 455.0842 |
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| SMILES | O=c1[nH]c(Nc2ccc(O)cc2)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | KNAXTSBPOMYFHI-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 | purine nucleotides |
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| Subclass | purine ribonucleotides |
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| Direct Parent | purine ribonucleoside monophosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurines and purine derivativespyrimidonessecondary alcoholssecondary aminestetrahydrofuransvinylogous amides |
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| Substituents | monocyclic benzene moietylactampentose phosphatepurine ribonucleoside monophosphate1-hydroxy-2-unsubstituted benzenoidmonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinephenolhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundamine |
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