| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:27 UTC |
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| Update Date | 2025-03-25 00:55:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H25N3OS |
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| Molecular Mass | 247.1718 |
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| SMILES | CC(=O)NCCCSCCNCCCCN |
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| InChI Key | BABCDBXUUMVNCK-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 | carboxylic acid derivatives |
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| Direct Parent | acetamides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino acids and derivativescarbonyl compoundscarboxylic acids and derivativesdialkylaminesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupsulfenyl compoundamino acid or derivativesdialkylthioethersecondary amineorganosulfur compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundacetamideorganooxygen compoundamine |
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