| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:59 UTC |
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| Update Date | 2025-03-25 00:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233253 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O7 |
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| Molecular Mass | 331.138 |
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| SMILES | CC(=O)NC1C(O)CC(OC(=O)CC(N)C(=O)O)C1NC(C)=O |
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| InChI Key | XOPUXVVCGZFRQK-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 homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativescyclopentanolsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidacetamidealcoholcyclic alcoholcarboxamide groupcyclopentanolsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativessecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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