Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:55:34 UTC |
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Update Date | 2025-03-25 00:52:03 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02191142 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C17H27N3O12 |
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Molecular Mass | 465.1595 |
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SMILES | CC(=O)NC1C(OC(=O)C(CC(=O)O)NC(=O)CCC(N)C(=O)O)OC(CO)C(O)C1O |
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InChI Key | BEOLZYBPJJZPPK-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 | acetalsacetamidesalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersfatty acyl glycosides of mono- and disaccharidesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharidesn-acyl aminesn-acyl-alpha amino acidsn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidecarbonyl groupcarboxylic acidglutamine or derivativesfatty amidemonosaccharidetricarboxylic acid or derivativesn-acyl-alpha-hexosaminesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesalcoholfatty acyl glycosiden-acyl-alpha-amino acidcarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esteralpha-amino acyl ester of carbohydrateaspartic acid or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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