DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:45 UTC
Update Date	2025-03-21 18:05:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054480
Frequency	59.0
Structure
Chemical Formula	C₁₂H₂₀N₄O₇
Molecular Mass	332.1332
SMILES	NC(=O)CCC(NC(=O)CCC(N)C(=O)NCC(=O)O)C(=O)O
InChI Key	LYCUHULAEXQEFY-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 dicarboxylic acids and derivatives dipeptides fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide 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

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