| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:26 UTC |
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| Update Date | 2025-03-25 00:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184000 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H25N5O6S2 |
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| Molecular Mass | 411.1246 |
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| SMILES | NC(CCCCNC(=C[N+](=O)[O-])NCCSSCC(N)C(=O)O)C(=O)O |
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| InChI Key | LSZJMIBQCMBNQR-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsc-nitro compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkyldisulfidesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic oxoazaniumsecondary aliphatic aminesulfenyl compoundorganic 1,3-dipolar compoundsecondary aminedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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