| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:34 UTC |
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| Update Date | 2025-03-25 01:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O6 |
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| Molecular Mass | 290.1478 |
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| SMILES | CC(O)(CCC(=O)NCCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | JXJOQBPUFHGBPN-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 acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidfatty amidefatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholmethyl-branched fatty acidhydroxy acidcarboxamide groupamino fatty acidbranched fatty acidn-acyl-aminesecondary carboxylic acid amidetertiary alcoholorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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