| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:13 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N3O10P2 |
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| Molecular Mass | 401.0389 |
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| SMILES | CC(=O)c1ncn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c1N |
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| InChI Key | LFRFJSGWGJJSCS-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 heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundscarbonylimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouparyl alkyl ketonearomatic heteromonocyclic compoundpentose phosphateketoneorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphatearyl ketone |
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