DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:15 UTC
Update Date	2025-03-21 18:38:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122939
Frequency	21.0
Structure
Chemical Formula	C₁₄H₂₄N₄O₇S₂
Molecular Mass	424.1086
SMILES	NC(CCCNC(=S)SCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)O
InChI Key	SJFOMYNKBODZSD-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dithiocarbamic acid esters glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide dithiocarbamic acid ester organic oxygen compound cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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