| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:21 UTC |
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| Update Date | 2025-03-25 00:58:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231797 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO7S |
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| Molecular Mass | 267.0413 |
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| SMILES | CC1=C(C(=O)O)NC(C(O)C(C)O)S(=O)(=O)O1 |
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| InChI Key | HPICIKVRTDQBHU-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acid estersoxacyclic compoundssecondary alcoholssulfonic acid esters |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidsulfonic acid esterorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic amineazacyclesecondary amineorganosulfonic acid esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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