| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:00 UTC |
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| Update Date | 2025-03-21 18:41:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134063 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C9H13NO7 |
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| Molecular Mass | 247.0692 |
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| SMILES | O=C(O)CCC(NCCC(=O)C(=O)O)C(=O)O |
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| InChI Key | PCMVOPOXUGXLFZ-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 | glutamic 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 derivativesamino acidscarboxylic acidsdialkylaminesgamma amino acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidgamma amino acid or derivativestricarboxylic acid or derivativesalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundsecondary aliphatic amineglutamic acid or derivativessecondary amineorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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