| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:36:10 UTC |
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| Update Date | 2025-03-21 17:57:14 UTC |
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| HMDB ID | HMDB0038666 |
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| Metabolite Identification |
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| DeepMet ID | DMID00006515 |
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| Name | L-N-(1H-Indol-3-ylacetyl)aspartic acid |
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| Frequency | 918.2 |
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| Structure | |
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| Chemical Formula | C14H14N2O5 |
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| Molecular Mass | 290.0903 |
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| SMILES | O=C(O)CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | VAFNMNRKDDAKRM-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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