| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:10 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149174 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21N3O5S |
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| Molecular Mass | 307.1202 |
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| SMILES | CS(=O)CCCCNC(=NCC(=O)O)NCCC(=O)O |
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| InChI Key | NIXLQIRIJXXISM-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineorganic 1,3-dipolar compoundalpha-amino acid or derivativescarboximidamideorganosulfur compoundbeta amino acid or derivativespropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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