| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:49 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153052 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N4O10P |
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| Molecular Mass | 410.0839 |
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| SMILES | NC(=O)c1cc(CC(N)C(=O)O)n(C2OC(COP(=O)(O)O)C(O)C2O)n1 |
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| InChI Key | UHVQUSWRUGQLTK-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 | 1,2-diols2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyrazole ribonucleosides and ribonucleotidespyrazolessecondary alcoholstetrahydrofurans |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatealpha-amino acid or derivativescarboxylic acid derivative2-heteroaryl carboxamidepyrazole1-ribofuranosylpyrazoleorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazole1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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