| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:14 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218054 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11N3O2 |
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| Molecular Mass | 169.0851 |
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| SMILES | N#CCCCC(NC=N)C(=O)O |
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| InChI Key | OBOXZJBFSGOPJM-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsformamidineshydrocarbon derivativesiminesmedium-chain fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidiminefatty acidamidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidcarbonitrilecarboximidamideamino fatty acidformamidinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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