| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:25 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223166 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O8 |
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| Molecular Mass | 322.1376 |
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| SMILES | NC(CCCCNCC1(O)CC(O)(C(=O)O)OC1O)C(=O)O |
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| InChI Key | KZIJLIHZVRSOSE-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesamino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundstertiary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidalpha-hydroxy acidfatty acidalpha-amino acid or derivativesmedium-chain hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaldelta amino acid or derivativesmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuranhydroxy acidsecondary amineamino fatty acidoxacycletertiary alcoholorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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