DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:56 UTC
Update Date	2025-03-21 18:05:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057254
Frequency	55.5
Structure
Chemical Formula	C₁₀H₁₆N₂O₅S
Molecular Mass	276.078
SMILES	C=CCNC(SCC(NC(C)=O)C(=O)O)C(=O)O
InChI Key	OVJMCDDZQLOVEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dialkylthioethers dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thiohemiaminal derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid amino acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid hemithioaminal organopnictogen compound acetamide secondary aliphatic amine sulfenyl compound n-acyl-alpha-amino acid dialkylthioether secondary amine carboxamide group secondary carboxylic acid amide organic oxygen compound thioether cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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