| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:50 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 | DMID02159850 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N2O15P3 |
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| Molecular Mass | 485.9842 |
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| SMILES | O=c1ccn(C2OC(O)C(CO[PH](O)(O)OP(=O)(O)OP(=O)(O)O)C2O)c(=O)[nH]1 |
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| InChI Key | VPZXQWCAGJKRLH-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 | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | alcoholvinylogous amidecarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycletetrahydrofuranheteroaromatic compoundpyrimidoneorganic pyrophosphatepyrimidineoxacycleorganic oxideorganonitrogen compoundsecondary alcoholorganopnictogen compoundhemiacetalhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeorganoheterocyclic compoundorganooxygen compound |
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