| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:18 UTC |
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| Update Date | 2025-03-21 18:03:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046494 |
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| Frequency | 77.4 |
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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 | CC(C)CC(NC(CCCNC(=N)N)C(=O)O)C(=O)O |
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| InChI Key | KCJGDWNGMAQXPP-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 acidsamino acidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylaminesdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesleucine and derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidguanidineiminefatty acidorganic oxidearginine or derivativesleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidcarboximidamidesecondary aminebranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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