| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:41 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184571 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26N3O6S+ |
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| Molecular Mass | 424.1537 |
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| SMILES | NC(CCCc1c(CCC(N)C(=O)O)sc[n+]1Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | GRHWFFOVTWYIAT-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4,5-disubstituted thiazolesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoid4,5-disubstituted 1,3-thiazoleorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
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