| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:39 UTC |
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| Update Date | 2025-03-25 00:53:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198112 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O7S2 |
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| Molecular Mass | 328.0399 |
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| SMILES | O=C(O)CC(NC(=S)NCCCCS(=O)(=O)O)C(=O)O |
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| InChI Key | WFNLUPIEEPWADM-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonylsthioureas |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupthioureacarboxylic acidorganosulfonic acidfatty acidorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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