| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:14 UTC |
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| Update Date | 2025-03-21 18:38:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120520 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C11H17N3O3 |
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| Molecular Mass | 239.127 |
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| SMILES | CC1=NCCC(C(=O)N2CCCC2C(=O)O)N1 |
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| InChI Key | FDBMBNGEZIRYDL-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 acidsamidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativeshydropyrimidinesimidolactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganopnictogen compoundsproline and derivativespropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acidstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acylpyrrolidinealpha-amino acid or derivativesamidinepropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhydropyrimidineorganopnictogen compoundpyrrolidineimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivatives1,4,5,6-tetrahydropyrimidineproline or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboximidamidecarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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