| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:21 UTC |
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| Update Date | 2025-03-21 18:34:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101360 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C10H14N2O3S |
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| Molecular Mass | 242.0725 |
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| SMILES | NCCC(=O)NC(Cc1cccs1)C(=O)O |
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| InChI Key | MKIIHQURVFITSY-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiophenes |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesthiophenecarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhybrid peptidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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