| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:14 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181359 |
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| Frequency | 0.5 |
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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)CNC(CC(=O)O)C(O)C(=O)CO |
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| InChI Key | ZBKUICPLZIYIJC-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesamino acidsamino fatty acidscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidmonosaccharidefatty acidalpha-hydroxy ketonemedium-chain hydroxy acidketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic aminesecondary amineamino fatty acidorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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