| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:10 UTC |
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| Update Date | 2025-03-21 18:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029379 |
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| Frequency | 127.2 |
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| Structure | |
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| Chemical Formula | C9H15N3O12P2 |
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| Molecular Mass | 419.0131 |
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| SMILES | Nc1c(C(=O)O)ncn1C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | NQBOIFJMXNKFFC-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 compoundscarbonylimidazolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazole ribonucleosides and ribonucleotidesimidazolesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupimidazole ribonucleosidecarboxylic acidaromatic heteromonocyclic compoundpentose phosphateamino acid or derivativesamino acidpentose-5-phosphatecarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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