| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:57 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180695 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N2O3S+ |
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| Molecular Mass | 271.1111 |
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| SMILES | Cc1c(CC=O)sc[n+]1CCCCC(N)C(=O)O |
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| InChI Key | IZHRNBSVHMMBGY-UHFFFAOYSA-O |
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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 | 4,5-disubstituted thiazolesalpha-hydrogen aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundaldehyde4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
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