| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:04 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178680 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N3O4 |
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| Molecular Mass | 281.1376 |
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| SMILES | Cn1ccc(CC(N)C(=O)N2CC(O)CC2C(=O)O)c1 |
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| InChI Key | UVBGGCSNNSLMNI-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary alcoholssubstituted pyrrolestertiary carboxylic acid amides |
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| Substituents | carbonyl groupn-methylpyrrolecarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidinealpha-amino acid or derivativessubstituted pyrroleorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalcoholalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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