DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:38 UTC
Update Date	2025-03-25 00:49:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177705
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₇N₃O₆
Molecular Mass	275.1117
SMILES	CNC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)O
InChI Key	LCBKZOITUXQIRE-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 acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids asparagine and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acids and conjugates glutamic acid and derivatives hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives secondary amine carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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