DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:47 UTC
Update Date	2025-03-25 00:56:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217010
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₃O₇S
Molecular Mass	351.11
SMILES	CSCCC(NC(=O)C(N)CO)C(=O)NC(CC(=O)O)C(=O)O
InChI Key	KJKQUQXDEKMPDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives methionine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary alcohols secondary carboxylic acid amides serine and derivatives short-chain hydroxy acids and derivatives sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol n-acyl-alpha amino acid or derivatives alcohol 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 organic oxygen compound thioether methionine or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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