| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:55 UTC |
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| Update Date | 2025-03-25 00:48:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169098 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21NO7 |
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| Molecular Mass | 279.1318 |
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| SMILES | CC(C)CC(N)C(=O)OC1OC(O)C(O)C(O)C1O |
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| InChI Key | PGQKXIJBEDVIHY-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 acyl ester of carbohydrates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidscarbonyl compoundscarboxylic acid estersfatty acid estershemiacetalshydrocarbon derivativesleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupmonosaccharidesaccharideorganic oxideacetalleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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