| 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 | DMID00123893 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C8H15NO5 |
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| Molecular Mass | 205.095 |
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| SMILES | CC(C)(CO)C(NCC(=O)O)C(=O)O |
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| InChI Key | IPVYDEZZHRSPST-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 | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon 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 acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsecondary aliphatic aminemethyl-branched fatty acidvaline or derivativessecondary aminebranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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