| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:21 UTC |
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| Update Date | 2025-03-21 18:06:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062980 |
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| Frequency | 49.1 |
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| Structure | |
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| Chemical Formula | C10H15N2O7P |
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| Molecular Mass | 306.0617 |
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| SMILES | Cc1ncc(COP(=O)(O)O)c(CC(N)C(=O)O)c1O |
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| InChI Key | HWKYLFTWBKZNGX-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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