| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:41 UTC |
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| Update Date | 2025-03-21 18:39:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123901 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C15H28N2O5 |
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| Molecular Mass | 316.1998 |
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| SMILES | CC(C)CC(N=C(O)C(CC(C)C)NC(C)C(=O)O)C(=O)O |
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| InChI Key | OTEBIXOZCWXXEW-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsamino acidscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidfatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidorganic 1,3-dipolar compoundsecondary aminebranched fatty acidorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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