| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:32 UTC |
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| Update Date | 2025-03-21 18:35:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104324 |
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| Frequency | 26.0 |
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| Structure | |
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| Chemical Formula | C8H16N2O2 |
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| Molecular Mass | 172.1212 |
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| SMILES | CCC(C)C(N=C(C)N)C(=O)O |
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| InChI Key | ANHQVZIIVKYRNI-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamidinescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidfatty acidorganic 1,3-dipolar compoundamidinecarboximidamidebranched fatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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