| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:39 UTC |
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| Update Date | 2025-03-25 00:54:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205018 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N5O10P2 |
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| Molecular Mass | 413.0138 |
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| SMILES | O=P(O)(O)OP(=O)(O)OCC1OC(n2ncnc3ncnc2-3)C(O)C1O |
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| InChI Key | LDNVGPOGRDXPMU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2,4-triazines1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepentose-5-phosphateorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholtriazinehydrocarbon derivativeorganic nitrogen compound1,2,4-triazineorganic phosphoric acid derivativealkyl phosphate |
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