| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:05 UTC |
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| Update Date | 2025-03-25 00:46:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156016 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H17N3O4S2 |
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| Molecular Mass | 283.066 |
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| SMILES | CSCCC(C(=O)O)S(=O)(=O)CCN=C(N)N |
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| InChI Key | XAQQPBAOZUXLPC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersguanidineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundssulfones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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