| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:21 UTC |
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| Update Date | 2025-03-21 18:34:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101373 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C18H31N4O6S+ |
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| Molecular Mass | 431.1959 |
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| SMILES | NC(CCCC[n+]1csc(CCC(N)C(=O)O)c1CCCC(N)C(=O)O)C(=O)O |
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| InChI Key | VECQAASJVODYBA-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 thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivatives4,5-disubstituted 1,3-thiazoleorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cationthiazoleorganoheterocyclic compoundorganooxygen compoundazole |
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