| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:07 UTC |
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| Update Date | 2025-03-21 17:56:52 UTC |
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| HMDB ID | HMDB0002028 |
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| Metabolite Identification |
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| DeepMet ID | DMID00004141 |
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| Name | DOPA sulfate |
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| Frequency | 1368.7 |
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| Structure | |
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| Chemical Formula | C9H11NO7S |
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| Molecular Mass | 277.0256 |
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| SMILES | NC(Cc1ccc(O)c(OS(=O)(=O)O)c1)C(=O)O |
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| InChI Key | SWJDFMNJUOJVPA-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativesphenylpropanoic acidsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesorganic sulfuric acid or derivativestyrosine or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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