| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:37 UTC |
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| Update Date | 2025-03-21 18:33:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097122 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C11H18N6O2S2 |
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| Molecular Mass | 330.0933 |
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| SMILES | CC(N=C(N)CCSCc1csc(N=C(N)N)n1)C(=O)O |
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| InChI Key | OQKGSMBPXJPFSO-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,4-disubstituted thiazolesalpha amino acidsamidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersguanidinesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolealanine or derivativeshydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
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