| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:49 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253504 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O2S |
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| Molecular Mass | 236.0619 |
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| SMILES | Nc1ccccc1C1=NC(C(=O)O)CSC1 |
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| InChI Key | KTBOYYIHSCBIHM-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidiminepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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