| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:52 UTC |
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| Update Date | 2025-03-21 18:04:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047842 |
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| Frequency | 69.5 |
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| Structure | |
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| Chemical Formula | C7H14NO7P2S+ |
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| Molecular Mass | 317.9961 |
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| SMILES | Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc[n+]1C |
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| InChI Key | QCVCALMXFVDTIK-UHFFFAOYSA-O |
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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 | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic pyrophosphate4,5-disubstituted 1,3-thiazoleorganic oxidephosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationthiazoleorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compoundazole |
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