| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:16 UTC |
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| Update Date | 2025-03-25 00:54:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206426 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O9S |
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| Molecular Mass | 324.0264 |
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| SMILES | NC(CCCN1C(=O)C(O)=C(OS(=O)(=O)O)C1=O)C(=O)O |
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| InChI Key | BRJZAHJACDNSIQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | sulfated fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboximidesfatty acylsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmaleimidesmonoalkylaminesmonocarboxylic acids and derivativesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinesshort-chain hydroxy acids and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty aciddicarboximidecarboxylic acid imide, n-substitutedorganoheterocyclic compoundorganic sulfuric acid or derivativesazacyclecarboxylic acid imidevinylogous acidmonocarboxylic acid or derivativesmaleimideorganic oxygen compoundpyrrolinesulfated fatty acidsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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