| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:53 UTC |
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| Update Date | 2025-03-21 18:36:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110085 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C19H34N2O7S |
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| Molecular Mass | 434.2087 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(C(O)CO)C(O)C(O)CO |
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| InChI Key | IUADYAOLZNGPKU-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 derivativesdialkylaminesfatty acyl thioestershydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholfatty acyl thioesterthiolactonealcoholsecondary aliphatic aminethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estersecondary aminecarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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