| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:04 UTC |
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| Update Date | 2025-03-25 00:54:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208292 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H26N2O3 |
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| Molecular Mass | 282.1943 |
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| SMILES | C=CC=NC(CC(C)C)C(O)=NC(C(=O)O)C(C)CC |
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| InChI Key | ZEYSMCSXPAUCER-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 | aldiminesalpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic 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 acidiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesmethyl-branched fatty acidorganic 1,3-dipolar compoundbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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