| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:21 UTC |
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| Update Date | 2025-03-21 18:35:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103861 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C12H24N4O4 |
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| Molecular Mass | 288.1798 |
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| SMILES | CCC(C)C(NC(=O)C(O)CCCNC(=N)N)C(=O)O |
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| InChI Key | VTIOTSHUCORREQ-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdelta amino acids and derivativesguanidineshydrocarbon derivativeshydroxy fatty acidsiminesmethyl-branched fatty acidsmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidguanidineiminefatty amidemonosaccharidefatty acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativeshydroxy fatty acidisoleucine or derivativesn-acyl-alpha amino acid or derivativesalcoholmethyl-branched fatty acidn-acyl-alpha-amino acidcarboximidamidecarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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