| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:46 UTC |
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| Update Date | 2025-03-21 18:38:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121795 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C8H13N3O8 |
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| Molecular Mass | 279.0703 |
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| SMILES | N=C(NOCC(O)C(=O)O)NC(CC(=O)O)C(=O)O |
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| InChI Key | UIEMJLMTYUOJFH-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 acidsalpha hydroxy acids and derivativescarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholssugar acids and derivativestricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminealpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativessaccharideorganic oxideglyceric_acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholcarboximidamidehydroxy acidorganic oxygen compoundaspartic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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