| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:26 UTC |
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| Update Date | 2025-03-25 00:51:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188608 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O6 |
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| Molecular Mass | 315.143 |
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| SMILES | CC(N)C(=O)N1CCCC1C(=O)NC(=O)CCC(O)C(=O)O |
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| InChI Key | POJLCFUPRAWUDO-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 acidsalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboximidesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesn-acylpyrrolidinesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary alcoholsshort-chain hydroxy acids and derivativestertiary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-hydroxy acidn-acylpyrrolidinemonosaccharidefatty acidalpha-amino acid or derivativescarboxylic acid imide, n-unsubstitutedsaccharideorganic oxidetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty aciddicarboximidepyrrolidineorganoheterocyclic compoundproline or derivativesalcoholalpha-amino acid amideazacyclehydroxy acidcarboxamide groupn-acyl-aminecarboxylic acid imidealpha-dipeptidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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