Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:38:03 UTC |
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Update Date | 2025-03-21 17:57:54 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00010950 |
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Frequency | 435.4 |
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Structure | |
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Chemical Formula | C8H13NO5 |
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Molecular Mass | 203.0794 |
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SMILES | CC(=O)NC(CCOC(C)=O)C(=O)O |
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InChI Key | WRXDOWNELFDRNF-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 | acetamidesalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidn-acyl-alpha-amino acidfatty acidcarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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