| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:07 UTC |
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| Update Date | 2025-03-25 00:46:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156062 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H31N3O4S |
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| Molecular Mass | 409.2035 |
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| SMILES | CSCCC(O)C(N)=NC(Cc1ccccc1)C(O)=NC(CC(C)C)C(=O)O |
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| InChI Key | JMONCLTXEYZRLQ-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 acidsamidinesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssulfenyl compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundcarboximidamidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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