| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:20 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181578 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO7 |
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| Molecular Mass | 247.0692 |
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| SMILES | O=C(O)CCNC(=O)C(=O)C(O)CCC(=O)O |
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| InChI Key | ZIBNWMAGJDHION-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesamino fatty acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidemonosaccharidefatty acidalpha-hydroxy ketonemedium-chain hydroxy acidketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholcarboxamide groupamino fatty acidn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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