| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:44 UTC |
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| Update Date | 2025-03-25 00:46:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152839 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N6O4 |
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| Molecular Mass | 274.139 |
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| SMILES | N=C(NCCCC(NC(=O)CN)C(=O)O)NC(N)=O |
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| InChI Key | XPTBHTVILHDHNQ-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 acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsarginine and derivativescarbonyl compoundscarboximidamidescarboxylic acidsfatty acids and conjugatesguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidalpha-amino acid or derivativesorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativescarbonic acid derivativealpha-amino acid amiden-acyl-alpha-amino acidcarboximidamidecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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