| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:02 UTC |
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| Update Date | 2025-03-21 17:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00001564 |
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| Frequency | 3784.2 |
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| Structure | |
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| Chemical Formula | C7H13NO5 |
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| Molecular Mass | 191.0794 |
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| SMILES | CC(NC(C(=O)O)C(C)O)C(=O)O |
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| InChI Key | BFNAFDVMLBNEPY-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidfatty acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsecondary aliphatic aminehydroxy acidsecondary amineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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