| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:06 UTC |
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| Update Date | 2025-03-21 18:31:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084015 |
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| Frequency | 42.0 |
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| Structure | |
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| Chemical Formula | C12H22N4O5 |
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| Molecular Mass | 302.159 |
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| SMILES | CN=C(NCCCC(=O)C(=O)O)NCCCC(N)C(=O)O |
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| InChI Key | NHKHOFVSHXGHPE-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 | arginine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain keto acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineimineshort-chain keto acidalpha-hydroxy ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidearginine or derivativesorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundcarboximidamideorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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