| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:34 UTC |
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| Update Date | 2025-03-21 18:34:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101936 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C13H25N3O6S |
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| Molecular Mass | 351.1464 |
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| SMILES | NC(CCCCNC(CSCCC(N)C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | CTWAQQHGFCHJQE-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 acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminethia fatty acidorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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