| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:35 UTC |
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| Update Date | 2025-03-25 00:56:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N3O10P2 |
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| Molecular Mass | 401.0389 |
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| SMILES | COP(=O)(O)OP(=O)(O)OCC1CC(O)C(n2ccc(N)nc2=O)O1 |
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| InChI Key | MLMIHSFTEUEINM-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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