DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:44 UTC
Update Date	2025-03-25 00:57:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223883
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₄O₈
Molecular Mass	362.1438
SMILES	NC(=O)CCC(N)C(=O)NC(CCC(=O)NC(CO)C(=O)O)C(=O)O
InChI Key	AZCZWOMCGUCYDU-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary alcohols primary carboxylic acid amides secondary carboxylic acid amides serine and derivatives 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 beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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