DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:44 UTC
Update Date	2025-03-25 01:00:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02241798
Frequency	0.5
Structure
Chemical Formula	C₁₆H₃₁N₃O₉
Molecular Mass	409.206
SMILES	CC(O)C(NC(=O)C(N)CCCCNCC1(O)OC(CO)C(O)C1O)C(=O)O
InChI Key	JEAJYFJEVVSDPP-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 acid amides alpha amino acids amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives beta-hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal 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 hydroxy acid secondary amine carboxamide group n-acyl-amine alpha-dipeptide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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