| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:29 UTC |
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| Update Date | 2025-03-21 18:02:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039688 |
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| Frequency | 87.5 |
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| Structure | |
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| Chemical Formula | C8H15N5O5 |
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| Molecular Mass | 261.1073 |
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| SMILES | N=C(N)CCONC(=N)NC(CC(=O)O)C(=O)O |
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| InChI Key | XSEQLYXHBWKKIB-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamidinescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugatesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidguanidineiminefatty acidamidinecarboximidamideorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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