| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:04 UTC |
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| Update Date | 2025-03-21 17:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022169 |
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| Frequency | 179.2 |
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| Structure | |
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| Chemical Formula | C8H13N4O7P |
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| Molecular Mass | 308.0522 |
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| SMILES | Nc1ncn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)n1 |
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| InChI Key | JQHZISUSXMJEPR-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 | aminotriazinesazacyclic compoundshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofuranstriazinones |
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| Substituents | amino-1,3,5-triazinearomatic heteromonocyclic compoundpentose phosphateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranaminotriazineheteroaromatic compoundoxacyclephosphoric acid esterhalo-s-triazinemonoalkyl phosphatesecondary alcoholtriazinehydrocarbon derivative1,3,5-triazineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminetriazinonealkyl phosphate |
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