| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:05 UTC |
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| Update Date | 2025-03-25 00:52:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192283 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H24N2O4 |
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| Molecular Mass | 272.1736 |
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| SMILES | CCCCCCC(N=C(C)C(N)CC(=O)O)C(=O)O |
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| InChI Key | SSQSNBNCOMBXKB-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmethyl-branched fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | fatty acylaliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidiminefatty acidalpha-amino acid or derivativespropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidmethyl-branched fatty acidorganic 1,3-dipolar compoundamino fatty acidbranched fatty acidbeta amino acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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