| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:08 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153832 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21N3O6S |
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| Molecular Mass | 335.1151 |
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| SMILES | CS(=O)CCCCNC(=C[N+](=O)[O-])NCCCC(=O)C(=O)O |
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| InChI Key | VEYZYHXZCGELFV-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsc-nitro compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidallyl-type 1,3-dipolar organic compoundshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidesulfinyl compoundc-nitro compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganic oxoazaniumsecondary aliphatic amineorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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