| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:36 UTC |
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| Update Date | 2025-03-21 18:31:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087491 |
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| Frequency | 32.5 |
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| Structure | |
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| Chemical Formula | C8H14N2O5 |
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| Molecular Mass | 218.0903 |
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| SMILES | COC(=O)C(C)NC(=O)C(N)CC(=O)O |
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| InChI Key | YWFYACAKCGZHAA-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 | peptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acid amidesalpha amino acid estersalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmethyl estersmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidalpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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