DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:33:35 UTC
Update Date	2025-03-21 17:56:10 UTC
HMDB ID	HMDB0029030
Metabolite Identification
DeepMet ID	DMID00000479
Name	Prolyl-Valine
Frequency	10825.9
Structure
Chemical Formula	C₁₀H₁₈N₂O₃
Molecular Mass	214.1317
SMILES	CC(C)C(NC(=O)C1CCCN1)C(=O)O
InChI Key	AWJGUZSYVIVZGP-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 amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines heterocyclic fatty acids hydrocarbon derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives secondary amine 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 amine

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