DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:42 UTC
Update Date	2025-03-25 00:54:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209816
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₉N₃O₈
Molecular Mass	379.1955
SMILES	CC(N)C(=O)NC(CCCCNCC1(O)OC(CO)C(O)C1O)C(=O)O
InChI Key	NWBKWXZNEBILDQ-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	alanine and derivatives alpha amino acid amides alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal medium-chain fatty acid hydroxy fatty acid primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid tetrahydrofuran secondary amine carboxamide group amino fatty acid alpha-dipeptide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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