| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:45 UTC |
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| Update Date | 2025-03-21 18:32:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090141 |
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| Frequency | 51.9 |
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| Structure | |
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| Chemical Formula | C5H10N2O7P2 |
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| Molecular Mass | 271.9963 |
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| SMILES | O=P(O)(O)OP(=O)(O)OCCc1c[nH]cn1 |
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| InChI Key | KNOMYKNBQAIZFQ-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 compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic pyrophosphateorganic oxidephosphoric acid esterimidazolemonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compoundazole |
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