| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:47 UTC |
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| Update Date | 2025-03-21 18:03:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042786 |
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| Frequency | 90.0 |
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| Structure | |
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| Chemical Formula | C9H18N4O4 |
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| Molecular Mass | 246.1328 |
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| SMILES | CC(O)C(NC(=O)CCCNC(=N)N)C(=O)O |
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| InChI Key | ZKIPQPFHHGSFEV-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboximidamidescarboxylic acidsgamma amino acids and derivativesguanidineshydrocarbon derivativeshydroxy fatty acidsiminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidgamma amino acid or derivativesguanidineiminefatty amidefatty acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholn-acyl-alpha-amino acidcarboximidamidehydroxy acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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