| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:00 UTC |
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| Update Date | 2025-03-25 00:58:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231001 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O2S |
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| Molecular Mass | 227.0728 |
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| SMILES | CCNCC(=O)Nc1sccc1C(N)=O |
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| InChI Key | IYTNIHAVMDPBOI-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 acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidesthiophene carboxamidesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundn-arylamidethiophenethiophene carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminealpha-amino acid amideheteroaromatic compoundsecondary aminecarboxamide groupthiophene carboxylic acid or derivativessecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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