| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:07 UTC |
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| Update Date | 2025-03-25 00:56:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220132 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21N3O5S2 |
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| Molecular Mass | 339.0923 |
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| SMILES | CS(=O)CCCCNC(=S)NOC(=O)CCC(N)C(=O)O |
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| InChI Key | XRXOTFMWRJXJHJ-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acid saltscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxidesthioureas |
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| Substituents | aliphatic acyclic compoundcarbonyl groupthioureacarboxylic acidfatty acidglutamic acid or derivativesorganosulfur compoundorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic saltcarboxylic acid saltorganooxygen compound |
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