| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:27 UTC |
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| Update Date | 2025-03-21 18:30:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082480 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C10H15N3O3 |
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| Molecular Mass | 225.1113 |
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| SMILES | Cn1cccc1CC(N)C(=O)NCC(=O)O |
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| InChI Key | PGBXMOMYLAMEGT-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdipeptidesfatty amidesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | fatty acylcarbonyl groupn-methylpyrrolecarboxylic acidaromatic heteromonocyclic compoundfatty amidesubstituted pyrrolealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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