| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:46:02 UTC |
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| Update Date | 2025-03-21 20:02:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00310315 |
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| Frequency | 6.3 |
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| Structure | |
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| Chemical Formula | C7H15NO2 |
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| Molecular Mass | 145.1103 |
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| SMILES | CNC(C(=O)OC)C(C)C |
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| InChI Key | OYBIEHUKFOTBGD-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 | alpha amino acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundsdialkylaminesfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupalpha-amino acid estervaline or derivativessecondary aminefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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