DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:27 UTC
Update Date	2025-03-21 18:05:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058471
Frequency	54.0
Structure
Chemical Formula	C₁₇H₃₁N₃O₁₀
Molecular Mass	437.2009
SMILES	NC(CCC(=O)NC(CCCCNCC1(O)OC(CO)C(O)C1O)C(=O)O)C(=O)O
InChI Key	AMQQJXNVKAEMNW-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 amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives glutamine and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides n-acyl amines 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 glutamine or derivatives amino acid or derivatives amino acid heterocyclic fatty acid fatty amide 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 n-acyl-alpha-amino acid tetrahydrofuran secondary amine carboxamide group amino fatty acid n-acyl-amine alpha-dipeptide oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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