| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:40 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223703 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N3O7S |
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| Molecular Mass | 335.0787 |
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| SMILES | N=C(NCCCSCC(=O)C(=O)O)NC(CC(=O)O)C(=O)O |
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| InChI Key | NBRXWSSPGDDJEN-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 acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboximidamidescarboxylic acidsdialkylthioethersguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminetricarboxylic acid or derivativesorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboximidamideorganic oxygen compoundthioetherketo acidaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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