| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:48 UTC |
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| Update Date | 2025-03-25 00:48:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171126 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO5 |
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| Molecular Mass | 217.095 |
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| SMILES | CC(=O)NC(CCC(=O)C(C)O)C(=O)O |
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| InChI Key | PIOOOONQOMZMJR-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesacyloinsalpha amino acidsalpha-hydroxy ketonesamino fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidefatty acidalpha-hydroxy ketonemedium-chain hydroxy acidketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidacetamidealcoholn-acyl-alpha-amino acidcarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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