| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:52 UTC |
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| Update Date | 2025-03-21 18:04:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050207 |
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| Frequency | 65.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O4 |
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| Molecular Mass | 218.1267 |
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| SMILES | COC(=O)C(NC(=O)C(N)CO)C(C)C |
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| InChI Key | XPNGBCPSJYHZMV-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 | alpha amino acid amidesalpha amino acid estersalpha amino acidscarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivativesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidvaline or derivativescarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundserine or derivativesorganooxygen compound |
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