DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:35:19 UTC
Update Date	2025-03-21 17:56:56 UTC
HMDB ID	HMDB0029012
Metabolite Identification
DeepMet ID	DMID00004590
Name	Prolyl-Asparagine
Frequency	1218.6
Structure
Chemical Formula	C₉H₁₅N₃O₄
Molecular Mass	229.1063
SMILES	NC(=O)CC(NC(=O)C1CCCN1)C(=O)O
InChI Key	JQOHKCDMINQZRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dipeptides fatty amides heterocyclic fatty acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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