| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:09 UTC |
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| Update Date | 2025-03-25 00:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224774 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N3O11P |
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| Molecular Mass | 411.0679 |
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| SMILES | Nc1c(C(CC(=O)O)C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | YXNJWZMONGJJMP-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-diolsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazole ribonucleosides and ribonucleotidesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | imidazole ribonucleosidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphateamino acid or derivativesamino acidpentose-5-phosphatecarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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