| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:52 UTC |
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| Update Date | 2025-03-25 00:56:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221878 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N2O15P3 |
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| Molecular Mass | 497.9842 |
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| SMILES | O=c1ccn(C2CC(O)C(OP(=O)(O)OP(=O)(O)O)C(COP(=O)(O)O)O2)c(=O)[nH]1 |
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| InChI Key | KDCIABYGDLSALP-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 derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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