DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:37:03 UTC
Update Date	2025-03-21 17:57:33 UTC
HMDB ID	HMDB0094651
Metabolite Identification
DeepMet ID	DMID00008601
Name	Pyroglutamylvaline
Frequency	706.3
Structure
Chemical Formula	C₁₀H₁₆N₂O₄
Molecular Mass	228.111
SMILES	CC(C)C(NC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	DTSWLLBBGHRXQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives lactams methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

Showing information for DMID00008601