| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:11 UTC |
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| Update Date | 2025-03-25 00:57:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227017 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26N2O3S |
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| Molecular Mass | 338.1664 |
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| SMILES | CC(C)CC(N=C(O)C(N)CCSCc1ccccc1)C(=O)O |
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| InChI Key | WEEGXLAWZHIDMU-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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