| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:14 UTC |
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| Update Date | 2025-03-25 00:55:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211111 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO7 |
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| Molecular Mass | 233.0536 |
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| SMILES | CC(=O)NC(C(=O)O)C(O)CC(=O)C(=O)O |
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| InChI Key | MXIICVHSKIDYML-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidsbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy ketoneketonebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundhydroxy fatty acidacetamidealcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupamino fatty acidsecondary carboxylic acid amideorganic oxygen compoundketo acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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