DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:26 UTC
Update Date	2025-03-25 00:59:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238818
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₄O₆
Molecular Mass	304.1383
SMILES	NC(=O)CCC(NC(=O)C(N)C(O)CCC(N)=O)C(=O)O
InChI Key	IOIRHIFATHCGEK-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 carbonyl compounds carboxylic acids delta amino acids and derivatives glutamine and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02238818