| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:40 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223723 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H27N4O18P3 |
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| Molecular Mass | 644.0533 |
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| SMILES | NC(=O)c1ncn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)O2)c1N |
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| InChI Key | ORGBWMXWFXGPIE-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 | 2-heteroaryl carboxamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary aminesprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundpentose phosphateamino acid or derivativescarboxylic acid derivative2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl groupoxaneprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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