| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:12 UTC |
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| Update Date | 2025-03-21 18:00:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029458 |
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| Frequency | 126.8 |
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| Structure | |
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| Chemical Formula | C14H18N2O6S |
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| Molecular Mass | 342.0886 |
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| SMILES | CSCCC(N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)C(=O)O |
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| InChI Key | OOEBWEUZBRBRQY-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 heteromonocyclic compounds |
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| Alternative Parents | aldiminesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundstetrahydropyridinesthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidiminetricarboxylic acid or derivativesorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compoundazacycledialkylthioethertetrahydropyridineorganic 1,3-dipolar compoundsecondary aminethia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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