| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:49 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162012 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H26N2O5S |
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| Molecular Mass | 418.1562 |
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| SMILES | C=CC1=C(C)C(=CC2C(C)=C(CCC(=O)O)C(SCC(N)C(=O)O)=C2C)NC1=O |
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| InChI Key | JCAGGSOVBWELRE-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amidessulfenyl compoundsthioenol ethers |
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| Substituents | carbonyl grouplactamcarboxylic acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacyclecarboxamide groupsecondary carboxylic acid amidethioenoletherorganic oxygen compoundpyrrolinecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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