| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:26 UTC |
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| Update Date | 2025-03-25 00:48:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO4S |
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| Molecular Mass | 235.0878 |
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| SMILES | CC(CSCCNCCC(=O)O)C(=O)O |
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| InChI Key | VNGDYOIDMBXMJX-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 | amino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidsulfenyl compoundamino aciddialkylthioethersecondary amineorganosulfur compoundbeta amino acid or derivativesorganic oxideorganic oxygen compoundthioetherorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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