| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:32 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252895 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16N2O5S |
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| Molecular Mass | 252.078 |
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| SMILES | NC(CCS(=O)C(N)CCC(=O)O)C(=O)O |
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| InChI Key | NCGWAQHZTBFMDX-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidgamma amino acid or derivativesfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidethia fatty acidorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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