DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:20 UTC
Update Date	2025-03-21 18:38:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120760
Frequency	21.5
Structure
Chemical Formula	C₁₁H₂₁N₃O₂
Molecular Mass	227.1634
SMILES	CC(C)CC(NC(=O)C1CCCN1)C(N)=O
InChI Key	VVRCMYBORQSUTG-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 and derivatives dialkylamines fatty amides hydrocarbon derivatives leucine 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 amino acid or derivatives fatty amide alpha-amino acid or derivatives organic oxide leucine or derivatives 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 alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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