| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:14 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179049 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N2O7S |
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| Molecular Mass | 388.1304 |
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| SMILES | CSCCC(N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)C(O)C(O)CO |
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| InChI Key | PSMSUCJFLODZLC-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 acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssulfenyl compoundstetrahydropyridines |
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| Substituents | carbonyl groupcarboxylic acidamino acidimineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminesulfenyl compoundazacycledialkylthioethertetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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