DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:18:37 UTC
Update Date	2025-03-21 18:35:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00106970
Frequency	25.2
Structure
Chemical Formula	C₁₃H₂₂N₂O₁₀
Molecular Mass	366.1274
SMILES	NC(CCC(=O)N(CC(=O)O)C1OC(CO)C(O)C(O)C1O)C(=O)O
InChI Key	IBVDDEDLZOAKRV-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acyl glycosides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols short-chain hydroxy acids and derivatives tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives saccharide organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid fatty n-acyl glycoside carboxamide group n-acyl-amine alpha-dipeptide oxacycle organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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