| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:25 UTC |
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| Update Date | 2025-03-25 00:55:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211538 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O5S2 |
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| Molecular Mass | 332.0501 |
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| SMILES | CC(=O)Nc1scc(CSCCC(N)C(=O)O)c1C(=O)O |
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| InChI Key | NKMNZMHAWOXKGE-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetamidescarbonyl compoundsdialkylthioethersdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidsthiophene carboxylic acidsvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundthiophene carboxylic acidn-arylamidethiopheneorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundacetamidevinylogous amidesulfenyl compounddialkylthioetherheteroaromatic compoundcarboxamide groupthiophene carboxylic acid or derivativessecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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