DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:50 UTC
Update Date	2025-03-25 00:49:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175799
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₄O₅
Molecular Mass	304.1747
SMILES	NC(CCCNCCCC(N)C(=O)NCC(=O)O)C(=O)O
InChI Key	AEFZDWXRZZCBHB-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 amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives dipeptides fatty acids and conjugates hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide fatty acid alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine alpha-amino acid amide secondary amine carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

Showing information for DMID02175799