| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:35 UTC |
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| Update Date | 2025-03-25 00:56:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO4 |
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| Molecular Mass | 203.1158 |
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| SMILES | CCC(C)C(NCC(=O)O)C(=O)OC |
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| InChI Key | ONKFQRXXAUWUNV-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 acid estersalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativessecondary aliphatic aminealpha-amino acid estersecondary aminefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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