| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:11 UTC |
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| Update Date | 2025-03-25 00:49:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172018 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O4 |
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| Molecular Mass | 258.158 |
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| SMILES | CNC(C(=O)N1CCCC1C(=O)O)C(C)(C)CO |
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| InChI Key | CJURFVSPKZDHPT-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 | alcohols and polyolsalpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amidesvaline and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidn-acylpyrrolidinealpha-amino acid or derivativesorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalcoholsecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidvaline or derivativessecondary aminecarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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