| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:14 UTC |
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| Update Date | 2025-03-25 00:47:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162992 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO4S2 |
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| Molecular Mass | 265.0442 |
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| SMILES | O=C(CCC1CCSS1)NC(CO)C(=O)O |
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| InChI Key | YBRBHKQQLSYHAH-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 | 1,2-dithiolanesalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amide1,2-dithiolanebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compounddithiolaneorganic disulfidehydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compound |
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