DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:27 UTC
Update Date	2025-03-21 18:31:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00084792
Frequency	33.8
Structure
Chemical Formula	C₉H₁₇N₃O₄
Molecular Mass	231.1219
SMILES	CC(C)CC(NC(N)=O)C(=O)NCC(=O)O
InChI Key	HJBPMLMGYKVLQI-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids dipeptides hydrocarbon derivatives leucine and derivatives monocarboxylic acids and derivatives n-acyl amines n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha peptide organic oxide n-carbamoyl-alpha-amino acid or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound carbonic acid derivative alpha-amino acid amide n-carbamoyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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