| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:49 UTC |
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| Update Date | 2025-03-21 18:00:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026254 |
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| Frequency | 160.6 |
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| Structure | |
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| Chemical Formula | C8H13NO6 |
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| Molecular Mass | 219.0743 |
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| SMILES | CC(=O)NC(CCC(O)C(=O)O)C(=O)O |
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| InChI Key | PHPPMPQTVVMOPX-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 acids and derivativesamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidefatty acidmedium-chain hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidacetamidealcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupamino fatty acidsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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