| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:48 UTC |
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| Update Date | 2025-03-25 00:57:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226192 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H27N3O14P2 |
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| Molecular Mass | 535.0968 |
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| SMILES | CC(O)(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)CC1O)C(O)C(O)CO |
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| InChI Key | YKQIKAPQIBLXCO-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 compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrimidonessecondary alcoholstertiary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatepyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycletertiary alcoholphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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