| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:26 UTC |
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| Update Date | 2025-03-25 00:52:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195311 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO3S |
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| Molecular Mass | 215.0616 |
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| SMILES | CC1=NC(CCCCC(=O)O)C(=O)S1 |
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| InChI Key | VJYHSSKOYODDBG-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolinesthiocarboxylic acids and derivativesthiolactones |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmeta-thiazolineheterocyclic fatty acidfatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidthiolactoneorganoheterocyclic compoundthiocarboxylic acid or derivativesazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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