| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:21 UTC |
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| Update Date | 2025-03-21 18:33:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096475 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C18H31N2O10PS |
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| Molecular Mass | 498.1437 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(O)C(O)COP(=O)(O)O |
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| InChI Key | CHGMCRQOBXYDFL-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 | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta amino acids and derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouppentose phosphatefatty amideorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganonitrogen compoundorganopnictogen compoundfatty acyl thioesterthiolactonealcoholthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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