| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:06 UTC |
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| Update Date | 2025-03-21 18:40:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129661 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C14H23N3O14P2 |
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| Molecular Mass | 519.0655 |
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| SMILES | Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OCC3OC(O)C(O)C3O)O2)c(=O)n1 |
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| InChI Key | JTWPJNPSPVSKCJ-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 | azacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatepyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetalimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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