| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:44 UTC |
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| Update Date | 2025-03-25 00:49:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H25N3O5 |
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| Molecular Mass | 315.1794 |
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| SMILES | CCC(C)C(N=C(O)C(CC(C)C)N=C(O)C(N)=O)C(=O)O |
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| InChI Key | SZESISFOTPYYRM-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesmethyl-branched fatty acidorganic 1,3-dipolar compoundcarboxamide groupbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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