Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:21:54 UTC |
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Update Date | 2025-03-21 18:37:18 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00114978 |
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Frequency | 22.9 |
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Structure | |
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Chemical Formula | C7H13NO5 |
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Molecular Mass | 191.0794 |
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SMILES | NC(CC(=O)O)C(O)CCC(=O)O |
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InChI Key | XBEFTDYWKMUVOR-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 | delta amino acids and derivatives |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | amino fatty acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidamino fatty acidmedium-chain hydroxy acidbeta amino acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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