| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:27 UTC |
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| Update Date | 2025-03-25 00:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N3O4S+ |
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| Molecular Mass | 316.1326 |
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| SMILES | NC(CCCC[n+]1ccc(CCC(N)C(=O)O)s1)C(=O)O |
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| InChI Key | AVPDIKKMBOQYDV-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazoles |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
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