| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:40 UTC |
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| Update Date | 2025-03-25 00:51:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184549 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O4S2 |
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| Molecular Mass | 330.0708 |
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| SMILES | NC(CCSSCCNc1ccccc1C(=O)O)C(=O)O |
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| InChI Key | BWQGSOWKWFOOHK-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdialkyldisulfidesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessulfenyl compoundsthia fatty acidsvinylogous amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidesulfenyl compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compounddialkyldisulfidethia fatty acidorganic oxygen compoundorganic disulfidedicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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