| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:05 UTC |
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| Update Date | 2025-03-21 18:35:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105649 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C12H21N3O4S2 |
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| Molecular Mass | 335.0973 |
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| SMILES | C=CCNC(=S)SCC(NCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | CHXZMCAWKILWAN-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 acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesdithiocarbamic acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundsecondary aminedithiocarbamic acid esterorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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