| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:32 UTC |
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| Update Date | 2025-03-25 00:55:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211824 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O8 |
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| Molecular Mass | 334.1376 |
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| SMILES | CC(=O)NC1C(OC(=O)C(N)C(C)C)OC(C(=O)O)C(O)C1O |
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| InChI Key | DWSKLAXUSVLXOH-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 | 1,2-diolsacetalsacetamidesalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmonosaccharidepyran carboxylic acidn-acyl-alpha-hexosaminebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholpyran carboxylic acid or derivativesvaline or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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