| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:21 UTC |
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| Update Date | 2025-03-25 00:49:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N4O8P |
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| Molecular Mass | 360.0471 |
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| SMILES | O=c1cc2c(ncn2C2CC(O)C(COP(=O)(O)O)O2)nc(=O)[nH]1 |
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| InChI Key | IRRPYOIEGBPWFP-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 | 1,3-diazepinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazodiazepinesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphateimidazo-meta-diazepineimidazodiazepineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolemeta-diazepinealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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