| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:12 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213413 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21N3O4 |
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| Molecular Mass | 319.1532 |
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| SMILES | CN(CCC(N)C(=O)O)C(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | PEGFNUBGSYGKMN-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrrolestrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic amineindole or derivativesamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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