| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:53 UTC |
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| Update Date | 2025-03-21 17:58:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012922 |
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| Frequency | 349.4 |
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| Structure | |
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| Chemical Formula | C8H13NO7 |
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| Molecular Mass | 235.0692 |
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| SMILES | O=C(O)CC(NCCC(O)C(=O)O)C(=O)O |
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| InChI Key | STQRQXIRJJDGMB-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 acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylaminesgamma amino acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidgamma amino acid or derivativesalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativessaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminehydroxy acidsecondary amineorganic oxygen compoundaspartic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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