DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:09 UTC
Update Date	2025-03-25 00:46:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156146
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₃O₅S
Molecular Mass	321.1358
SMILES	CSCCC(NC(=O)CCNC(=O)C(N)C(C)O)C(=O)O
InChI Key	JPQYYAFSHUFGLL-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 dialkylthioethers hydrocarbon derivatives hydroxy fatty acids methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds thia fatty acids
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 organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives secondary alcohol hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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