| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:10:15 UTC |
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| Update Date | 2025-03-24 22:31:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01228439 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C20H38N2O26P6S |
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| Molecular Mass | 939.9859 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)P(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O |
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| InChI Key | MOCVSQHLMKIQRT-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 | alcohols and polyols |
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| Direct Parent | inositol phosphates |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | beta amino acids and derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganic phosphonic acids and derivativesorganonitrogen compoundsorganophosphorus compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | carbonyl groupinositol phosphateorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundfatty acyl thioesterthiolactoneorganophosphonic acid derivativethiocarboxylic acid or derivativescarbonic acid derivativesulfenyl compoundthiocarboxylic acid estercarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatealiphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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