| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:08:32 UTC |
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| Update Date | 2025-03-21 18:30:32 UTC |
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| HMDB ID | HMDB0257405 |
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| Metabolite Identification |
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| DeepMet ID | DMID00082680 |
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| Name | S-Methylthiocitrulline |
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| Frequency | 52.1 |
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| Structure | |
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| Chemical Formula | C7H15N3O2S |
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| Molecular Mass | 205.0885 |
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| SMILES | CSC(=N)NCCCC(N)C(=O)O |
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| InChI Key | NGVMVBQRKZPFLB-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidamidescarboxylic acidsfatty acids and conjugateshydrocarbon derivativesiminesisothioureasmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundiminefatty acidcarboximidamideorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundisothiourea |
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