| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:39 UTC |
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| Update Date | 2025-03-25 00:48:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO3S2 |
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| Molecular Mass | 263.065 |
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| SMILES | CC(C)C(NC(=O)C1CCSSC1)C(=O)O |
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| InChI Key | SYTVBNCGFOOXLK-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdithianesheterocyclic fatty acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundmethyl-branched fatty acidn-acyl-alpha-amino acidvaline or derivativescarboxamide groupbranched fatty acid1,2-dithianesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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