| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:25 UTC |
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| Update Date | 2025-03-25 00:51:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15N3O4 |
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| Molecular Mass | 241.1063 |
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| SMILES | CC(NC(=O)C(C)(O)Cc1c[nH]cn1)C(=O)O |
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| InChI Key | ODTZUSIVQUKYPS-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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