| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:34 UTC |
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| Update Date | 2025-03-21 18:34:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101900 |
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| Frequency | 32.9 |
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| Structure | |
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| Chemical Formula | C12H18N4O3 |
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| Molecular Mass | 266.1379 |
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| SMILES | COC(=O)C1CCCN1C(=O)C(N)Cc1c[nH]cn1 |
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| InChI Key | JOKYALIXXGIOAC-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 | peptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidsazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundn-acylpyrrolidinealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterimidazolepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amidealpha-amino acid esterazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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