DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:47 UTC
Update Date	2025-03-21 18:38:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119498
Frequency	21.8
Structure
Chemical Formula	C₇H₁₄N₂O₃S
Molecular Mass	206.0725
SMILES	NC(CS)C(=O)NCCCC(=O)O
InChI Key	LFZSVYMZKNUKFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds secondary carboxylic acid amides
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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