| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:07 UTC |
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| Update Date | 2025-03-25 00:56:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220162 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O5S |
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| Molecular Mass | 306.1249 |
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| SMILES | CSCCC(N=C(O)C(CC(C)C)NC(=O)O)C(=O)O |
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| InChI Key | RYYLUKVNHLCSSJ-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 | branched fatty acidscarbamic acidscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarbamic acidfatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonic acid derivativesulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundbranched fatty acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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