DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:59 UTC
Update Date	2025-03-25 00:59:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240064
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₂O₇
Molecular Mass	292.1271
SMILES	NCCCCC(NC(=O)C(O)C(O)C(O)C=O)C(=O)O
InChI Key	ZHOUALVXOKWBSU-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids alpha-hydroxyaldehydes amino fatty acids beta-hydroxy aldehydes carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound beta-hydroxy aldehyde carbonyl group carboxylic acid fatty amide monosaccharide fatty acid medium-chain hydroxy acid saccharide organic oxide alpha-hydroxyaldehyde organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid alcohol n-acyl-alpha-amino acid aldehyde carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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