| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:24 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223110 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H29N4O6S+ |
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| Molecular Mass | 417.1802 |
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| SMILES | NC(CCCC[n+]1cc(CCCC(N)C(=O)O)c(CC(N)C(=O)O)s1)C(=O)O |
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| InChI Key | LFCZFLVRIAVCAH-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 acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazolestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cationthiazoleorganoheterocyclic compoundorganooxygen compoundazole |
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