| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:50 UTC |
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| Update Date | 2025-03-21 18:39:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126641 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C11H18N2O6 |
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| Molecular Mass | 274.1165 |
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| SMILES | NC(CCCC(=O)O)C(=O)N1CC(O)CC1C(=O)O |
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| InChI Key | KPHVPYNAPGBASQ-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdelta amino acids and derivativesdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary alcoholstertiary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidn-acylpyrrolidinefatty acidalpha-amino acid or derivativesmedium-chain hydroxy acidorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidhydroxy fatty acidpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalcoholalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupamino fatty acidalpha-dipeptidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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