| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:20 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181563 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO6 |
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| Molecular Mass | 221.0899 |
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| SMILES | O=C(O)CCNCC(O)C(O)C(=O)CO |
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| InChI Key | AREUSSOEWMORQZ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesamino acidsbeta-hydroxy ketonescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidmonosaccharidealpha-hydroxy ketoneketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminebeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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