| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:42 UTC |
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| Update Date | 2025-03-21 18:03:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047464 |
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| Frequency | 70.2 |
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| Structure | |
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| Chemical Formula | C8H13NO5 |
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| Molecular Mass | 203.0794 |
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| SMILES | CC(=O)CC(NC(C)C(=O)O)C(=O)O |
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| InChI Key | XGLUFICJNPPXLI-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesketonesorganic oxidesorganopnictogen compoundsshort-chain keto acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidshort-chain keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminegamma-keto acidorganic oxygen compoundketo aciddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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