| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:28 UTC |
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| Update Date | 2025-03-25 00:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229783 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H31N3O5 |
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| Molecular Mass | 345.2264 |
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| SMILES | CCCC(O)CCCC(=NCC(=O)O)NCCCCC(N)C(=O)O |
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| InChI Key | PFDFHIWYONNCSE-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 | amidinesamino fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidamidinemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholorganic 1,3-dipolar compoundcarboximidamideamino fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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