| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:03 UTC |
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| Update Date | 2025-03-25 01:01:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251794 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO7 |
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| Molecular Mass | 249.0849 |
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| SMILES | O=CC(O)C(O)C(=O)NCCCC(O)C(=O)O |
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| InChI Key | LLESXRSZNAGUMQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty amidemonosaccharidecarboxylic acid derivativesaccharideorganic oxidealpha-hydroxyaldehydeorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholaldehydehydroxy acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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