DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:36 UTC
Update Date	2025-03-25 00:56:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216565
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₃O₆
Molecular Mass	303.143
SMILES	CCC(C)C(NC(=O)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	UTYXDRRABPWPKP-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dicarboximides dicarboxylic acids and derivatives hydrocarbon derivatives isoleucine and derivatives methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl ureas n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty acid organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide ureide isoleucine or derivatives n-acyl urea carbonic acid derivative methyl-branched fatty acid n-carbamoyl-alpha-amino acid branched fatty acid n-acyl-amine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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