| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:09 UTC |
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| Update Date | 2025-03-21 18:32:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088757 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C8H13N3O3S |
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| Molecular Mass | 231.0678 |
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| SMILES | O=C(O)CCC1SCC2NC(=O)NC1N2 |
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| InChI Key | TYYKZZHOADDNSP-UHFFFAOYSA-N |
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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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3,5-triazinanesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsthia fatty acidsthiomorpholines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesorganoheterocyclic compound1,4-thiazinanesecondary aliphatic aminecarbonic acid derivativeazacycledialkylthioether1,3,5-triazinanesecondary aminetriazinanemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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