| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:24 UTC |
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| Update Date | 2025-03-25 00:52:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190773 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO5 |
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| Molecular Mass | 231.1107 |
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| SMILES | C=C(O)C(NC(CC(C)C)C(=O)O)C(=O)O |
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| InChI Key | PEQQBTPIFHNVTF-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 | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidsecondary aliphatic aminemethyl-branched fatty acidsecondary aminebranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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