DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:15 UTC
Update Date	2025-03-25 00:50:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179058
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₇N₃O₄S₂
Molecular Mass	365.1443
SMILES	CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)O
InChI Key	RBGLBUDVQVPTEG-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 dialkylthioethers hydrocarbon derivatives leucine and derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide 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 sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether cysteine or derivatives methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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