| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:34:23 UTC |
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| Update Date | 2025-03-21 17:56:35 UTC |
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| HMDB ID | HMDB0304387 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002358 |
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| Name | indole-3-acetyl-tryptophan |
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| Frequency | 2598.5 |
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| Structure | |
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| Chemical Formula | C21H19N3O3 |
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| Molecular Mass | 361.1426 |
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| SMILES | O=C(Cc1c[nH]c2ccccc12)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | FOSPCYZZRVNHJS-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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