| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:13 UTC |
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| Update Date | 2025-03-21 18:36:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113294 |
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| Frequency | 34.0 |
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| Structure | |
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| Chemical Formula | C7H11N3O2 |
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| Molecular Mass | 169.0851 |
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| SMILES | CC(NCc1cnc[nH]1)C(=O)O |
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| InChI Key | YJRMCILHDDSQHN-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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