| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202416 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O6P+ |
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| Molecular Mass | 343.1053 |
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| SMILES | C[N+](C)(C)C(Cc1c[nH]c2ccc(OP(=O)(O)O)cc12)C(=O)O |
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| InChI Key | WAAHGFFGUHPHOC-UHFFFAOYSA-O |
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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 | alkaloids and derivativesaminesaryl phosphomonoestersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesalkaloid or derivativesorganic oxygen compoundphosphoric acid esterpyrrolehydrocarbon derivativearyl phosphomonoesterbenzenoidorganic nitrogen compoundaryl phosphateorganic phosphoric acid derivativeamineorganooxygen compound |
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