| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:44 UTC |
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| Update Date | 2025-03-25 00:46:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152830 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15N3O9S |
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| Molecular Mass | 341.0529 |
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| SMILES | N=C(NCCCC(=O)OS(=O)(=O)O)NC(CC(=O)O)C(=O)O |
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| InChI Key | VGRGICFPNLTKOO-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 compoundscarboximidamidescarboxylic acidsgamma amino acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundssulfuric acid monoesterstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesgamma amino acid or derivativesguanidineiminetricarboxylic acid or derivativescarboximidamideorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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