| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:36:47 UTC |
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| Update Date | 2025-03-21 17:57:27 UTC |
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| HMDB ID | HMDB0060757 |
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| Metabolite Identification |
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| DeepMet ID | DMID00007964 |
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| Name | 4-Aminobenzoyl-(beta)-alanine |
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| Frequency | 622.7 |
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| Structure | |
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| Chemical Formula | C10H12N2O3 |
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| Molecular Mass | 208.0848 |
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| SMILES | Nc1ccc(C(=O)NCCC(=O)O)cc1 |
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| InChI Key | VHAXWROFYVPXMZ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylbenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acid or derivativescarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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