| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:04 UTC |
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| Update Date | 2025-03-21 17:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022192 |
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| Frequency | 206.9 |
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| Structure | |
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| Chemical Formula | C17H33N3O4S |
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| Molecular Mass | 375.2192 |
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| SMILES | CSCCC(N)C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(=O)O |
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| InChI Key | SODXFJOPSCXOHE-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethyl-branched fatty acidsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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