DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:37 UTC
Update Date	2025-03-25 00:49:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02172988
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₈N₄O₇S
Molecular Mass	490.2461
SMILES	CCC(C)C(NC(=O)C(N)CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O
InChI Key	BSQHLPPRNFNTQH-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 branched fatty acids carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives hydrocarbon derivatives isoleucine and derivatives leucine and derivatives methionine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides secondary carboxylic acid amides sulfenyl compounds thia fatty acids
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 isoleucine or derivatives n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide thia fatty acid organic oxygen compound thioether methionine or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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