| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:39 UTC |
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| Update Date | 2025-03-25 00:57:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223680 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N4O8 |
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| Molecular Mass | 348.1281 |
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| SMILES | N=C(NCCCC(O)C(O)=NCC(=O)O)NC(CC(=O)O)C(=O)O |
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| InChI Key | PELVPBWRBUJHQM-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 acidscarbonyl compoundscarboximidamidescarboximidic acidscarboxylic acidsguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidguanidineiminetricarboxylic acid or derivativesorganic 1,3-dipolar compoundcarboximidamidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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