| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:37 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO8 |
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| Molecular Mass | 251.0641 |
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| SMILES | O=C(O)CC(NC1OC(O)C(O)C1O)C(=O)O |
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| InChI Key | YKSQABGDDNDVFP-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshemiacetalshemiaminalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholsshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidmonosaccharidefatty acidhemiaminalsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic aminetetrahydrofuransecondary amineoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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