| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:11 UTC |
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| Update Date | 2025-03-21 18:36:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108358 |
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| Frequency | 24.7 |
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| Structure | |
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| Chemical Formula | C8H13NO5 |
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| Molecular Mass | 203.0794 |
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| SMILES | CC(C)CC(=NC(O)C(=O)O)C(=O)O |
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| InChI Key | PAXVNVFWNYEMJD-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidshort-chain hydroxy acidiminealpha-hydroxy acidfatty acidpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalkanolaminemethyl-branched fatty acidorganic 1,3-dipolar compoundhydroxy acidbranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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