| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:30 UTC |
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| Update Date | 2025-03-25 00:47:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161306 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H18N6O2S2 |
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| Molecular Mass | 318.0933 |
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| SMILES | NC(N)=Nc1nc(CSCCNCC(N)C(=O)O)cs1 |
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| InChI Key | KTQJIQRZDSBCKA-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,4-disubstituted thiazolesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersguanidinesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidguanidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesecondary aliphatic aminesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compoundamine |
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