| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:16 UTC |
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| Update Date | 2025-03-21 18:36:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113398 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C14H25N3O7S2 |
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| Molecular Mass | 411.1134 |
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| SMILES | CS(=O)CCCCNC(NC(=O)CCC(N)C(=O)O)SCC(=O)C(=O)O |
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| InChI Key | VKRQQRWMYYOLEU-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn,s-acetalsn-acyl aminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesshort-chain keto acids and derivativessulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesamino acidfatty amideshort-chain keto acidorganosulfur compoundalpha-hydroxy ketoneketonen,s-acetalorganic oxidesulfinyl compoundorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetherketo acidsulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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