| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:33 UTC |
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| Update Date | 2025-03-21 18:02:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039820 |
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| Frequency | 87.1 |
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| Structure | |
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| Chemical Formula | C6H11NO5 |
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| Molecular Mass | 177.0637 |
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| SMILES | CC(NCC(O)C(=O)O)C(=O)O |
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| InChI Key | BHWGJKMXEDHYPD-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 acidsalpha hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidmonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminehydroxy acidsecondary amineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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