| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:57 UTC |
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| Update Date | 2025-03-25 00:51:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187558 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N3O5 |
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| Molecular Mass | 271.1168 |
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| SMILES | CC(C)(O)C(O)C(=O)NC(Cc1cnc[nH]1)C(=O)O |
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| InChI Key | BIRAPXUFTGXXIO-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 | 1,2-diolsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amidemonosaccharidesaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazole1,2-diolalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-acyl-aminesecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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