DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:18 UTC
Update Date	2025-03-25 00:49:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176922
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₃O₇S
Molecular Mass	335.0787
SMILES	O=C(O)CNC(=O)CCCNC(=S)NC(CC(=O)O)C(=O)O
InChI Key	NQEXZSCXIDFXPQ-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	acyl glycines alpha amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides thioureas tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group thiourea carboxylic acid gamma amino acid or derivatives fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives hybrid peptide hydrocarbon derivative organic nitrogen compound organooxygen compound

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