| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:13 UTC |
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| Update Date | 2025-03-21 18:32:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088914 |
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| Frequency | 55.2 |
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| Structure | |
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| Chemical Formula | C8H11NO6 |
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| Molecular Mass | 217.0586 |
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| SMILES | O=C(O)CCC(=O)CC(=O)NCC(=O)O |
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| InChI Key | ICANINPSZUQMSL-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidscarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboxamide groupamino fatty acidn-acyl-aminen-acylglycinegamma-keto acidsecondary carboxylic acid amideorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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