DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:51 UTC
Update Date	2025-03-21 18:29:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076159
Frequency	38.7
Structure
Chemical Formula	C₁₀H₁₆N₂O₇
Molecular Mass	276.0958
SMILES	CC(=O)NC(CCC(=O)NC(CO)C(=O)O)C(=O)O
InChI Key	ROFUDJVKPFSZHL-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	acetamides 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 n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives short-chain hydroxy acids and derivatives
Substituents	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 acetamide n-acyl-alpha amino acid or derivatives alcohol 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 organic nitrogen compound serine or derivatives organooxygen compound

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