| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:03 UTC |
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| Update Date | 2025-03-21 18:39:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124773 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C12H18N6O4S2 |
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| Molecular Mass | 374.0831 |
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| SMILES | NC(N)=Nc1nc(CSCCC(N)=NC(CC(=O)O)C(=O)O)cs1 |
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| InChI Key | NWVCCPHMGKVMFM-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 | aspartic acid 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 acidsdialkylthioethersdicarboxylic acids and derivativesguanidinesheteroaromatic compoundshydrocarbon 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 compoundcarboximidamideorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazoleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
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