| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:03 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO3S3 |
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| Molecular Mass | 281.0214 |
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| SMILES | O=C(O)CN=C(O)CCCCC1SCSS1 |
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| InChI Key | FTRRPPGCXIWRKW-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstrithiolanes |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidtrithiolanedialkylthioetherorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganic disulfidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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