DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:10 UTC
Update Date	2025-03-25 00:56:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220248
Frequency	0.5
Structure
Chemical Formula	C₈H₁₇N₃O₄S
Molecular Mass	251.094
SMILES	CS(=O)(=O)CCC(N)C(=O)NCCC(N)=O
InChI Key	PHSMKOZHYQOIBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides sulfones
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide sulfonyl organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound sulfone

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