| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:56 UTC |
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| Update Date | 2025-03-21 18:07:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069205 |
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| Frequency | 43.7 |
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| Structure | |
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| Chemical Formula | C25H39NO7S |
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| Molecular Mass | 497.2447 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(NCC(=O)O)C(=O)O)C(O)CCCC(=O)O |
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| InChI Key | QCTJOQSLXRWUJK-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 acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary alcoholssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary amineorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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