| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:00 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153478 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO3S |
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| Molecular Mass | 229.0773 |
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| SMILES | CC(=O)CCCCCC(N=C=S)C(=O)O |
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| InChI Key | YDFVCYXMWFVITB-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 acyclic compounds |
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| Alternative Parents | carboxylic acidshydrocarbon derivativesisothiocyanatesketonesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundisothiocyanatecarbonyl groupcarboxylic acidfatty acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compound |
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