| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:28 UTC |
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| Update Date | 2025-03-25 00:50:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179575 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20N2O5S2 |
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| Molecular Mass | 324.0814 |
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| SMILES | CS(=O)CCCCNC(=C[N+](=O)[O-])SCCCC(=O)O |
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| InChI Key | PSTZGVXVOOLKRO-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 | amino acidsc-nitro compoundscarbonyl compoundscarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsstraight chain fatty acidssulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidallyl-type 1,3-dipolar organic compoundorganosulfur compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfinyl compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumsecondary aliphatic aminestraight chain fatty acidsulfenyl compoundorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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