| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:54 UTC |
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| Update Date | 2025-03-25 00:49:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173668 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H22O9P2 |
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| Molecular Mass | 336.0739 |
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| SMILES | CCCCCCC(O)C(O)COP(=O)(O)OP(=O)(O)O |
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| InChI Key | IXGSEGOHBBSRNX-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 | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolshydrocarbon derivativesmonoalkyl phosphatesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundorganic pyrophosphateorganic oxidephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic phosphoric acid derivativealkyl phosphateorganooxygen compound1,2-diol |
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