| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:01 UTC |
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| Update Date | 2025-03-25 00:49:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173928 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H35N2O8PS |
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| Molecular Mass | 506.1852 |
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| SMILES | CCCCCC=CCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)COP(=O)(O)O |
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| InChI Key | YQUMZMRLNRCZRV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupmonosaccharideorganosulfur compoundcarbothioic s-estersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundfatty acyl thioesterthiolactonealcoholthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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