| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:46 UTC |
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| Update Date | 2025-03-21 18:36:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112225 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C10H18N4O12P2 |
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| Molecular Mass | 448.0396 |
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| SMILES | NC(=O)c1ncn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C(O)C2O)c1N |
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| InChI Key | SYNXWTPUJKCLLL-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 | hexose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminesprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivative2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl groupoxaneorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycleheteroaromatic compoundcarboxamide grouporganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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