| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:28 UTC |
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| Update Date | 2025-03-21 18:38:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118759 |
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| Frequency | 22.0 |
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| Structure | |
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| Chemical Formula | C10H17N3O11P2 |
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| Molecular Mass | 417.0338 |
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| SMILES | Nc1ccn(C2CC(O)C(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1 |
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| InChI Key | KWLBYHQQXITZII-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 | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespyrimidonessecondary alcohols |
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| Substituents | aromatic heteromonocyclic compoundmonosaccharidepyrimidonepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneimidolactamorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativeazacycleheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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