DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:29 UTC
Update Date	2025-03-21 18:38:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121139
Frequency	21.4
Structure
Chemical Formula	C₁₄H₂₅N₃O₆S
Molecular Mass	363.1464
SMILES	CC(C)CC(NC(=O)C(CS)NC(=O)C(N)CCC(=O)O)C(=O)O
InChI Key	RQNYYRHRKSVKAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dicarboxylic acids and derivatives glutamic acid and derivatives hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds peptides secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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