| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:16 UTC |
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| Update Date | 2025-03-21 18:33:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096266 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C16H31N3O8 |
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| Molecular Mass | 393.2111 |
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| SMILES | CC(=O)NC1C(O)CC(O)(CNCCCCC(N)C(=O)O)OC1C(O)CO |
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| InChI Key | VITCTYLOEZYQKR-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidmedium-chain hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholsecondary aliphatic aminesecondary aminecarboxamide groupamino fatty acidoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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