| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:01 UTC |
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| Update Date | 2025-03-25 01:01:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247180 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O5 |
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| Molecular Mass | 272.1372 |
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| SMILES | CCC(C)C(NC(=O)C1CCCN1C(=O)O)C(=O)O |
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| InChI Key | ZOCXNXZVVBTFQB-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 acidsazacyclic compoundscarbamic acidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidspyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidcarbamic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativescarbonic acid derivativemethyl-branched fatty acidalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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