| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:49 UTC |
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| Update Date | 2025-03-25 00:47:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159809 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N5O12P2 |
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| Molecular Mass | 497.0349 |
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| SMILES | O=c1nc2n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)O)c3cc[nH]c3nc-2c(=O)[nH]1 |
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| InChI Key | KSKJXPOTMCYVHZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | pteridines and derivatives |
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| Direct Parent | pteridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonespyrrolespyrrolopyrazinessecondary alcohols |
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| Substituents | lactampyrimidonepteridinepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolopyrazinealcoholcarbonic acid derivativeazacycleheteroaromatic compoundorganic pyrophosphateorganic oxygen compoundphosphoric acid esterpyrazinemonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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