| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:53 UTC |
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| Update Date | 2025-03-21 18:06:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064259 |
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| Frequency | 47.9 |
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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(C(=O)O)C(C)CC(=O)O |
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| InChI Key | UHXIXCYMIOAGHI-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidn-acyl-alpha-amino acidfatty acidcarboxamide groupbranched fatty acidsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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