| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:02 UTC |
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| Update Date | 2025-03-25 00:49:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176299 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO4S2 |
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| Molecular Mass | 315.0599 |
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| SMILES | NC(CSCCSCc1ccccc1C(=O)O)C(=O)O |
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| InChI Key | YJALRJOXVNRVSV-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidsulfenyl compounddialkylthioetherbenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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