| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:02 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N5O2S2+ |
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| Molecular Mass | 368.1209 |
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| SMILES | Cc1ncc(C[n+]2csc(CSCCNCC(=O)O)c2C)c(N)n1 |
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| InChI Key | RBXPDZMAOWDHML-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 thiazolesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationimidolactamorganoheterocyclic compoundazolesecondary aliphatic aminesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundsecondary amine4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
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