| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:35 UTC |
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| Update Date | 2025-03-21 18:04:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051824 |
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| Frequency | 115.9 |
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| Structure | |
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| Chemical Formula | C7H13N3O4 |
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| Molecular Mass | 203.0906 |
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| SMILES | NC(CCC(N)C(=O)O)=NCC(=O)O |
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| InChI Key | PLAXSMMFDNBOGG-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 | amidinescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganic 1,3-dipolar compoundamidinecarboximidamidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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