| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:35 UTC |
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| Update Date | 2025-03-21 18:40:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130834 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C9H16N2O5 |
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| Molecular Mass | 232.1059 |
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| SMILES | COC(=O)C(CCC(=O)O)NC(=O)C(C)N |
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| InChI Key | WSMDABNHUHLXKP-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 acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglutamic acid and derivativeshydrocarbon derivativesmethyl estersmonoalkylaminesn-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 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 acidglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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