| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:29 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200088 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H20N4O10S |
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| Molecular Mass | 388.09 |
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| SMILES | N=C(NOCCC(N)C(=O)O)NC1OC(COS(=O)(=O)O)C(O)C1O |
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| InChI Key | JCNPWTYVFBSIGH-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 | 1,2-diolsalkyl sulfatesalpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsguanidinesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsiminesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidguanidineiminemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativesaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compound1,2-diolalcoholorganic sulfuric acid or derivativestetrahydrofurancarboximidamideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsecondary alcoholsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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