DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:37 UTC
Update Date	2025-03-25 00:51:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189052
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₈N₂O₇
Molecular Mass	372.1897
SMILES	CC(C)CC(NC(=O)C1=CN(C2OC(CO)C(O)C2O)CCC1)C(=O)O
InChI Key	KZSAIPFMZGLDPO-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	leucine and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids enamines fatty acyls heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetrahydrofurans tetrahydropyridines vinylogous amides
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid monosaccharide saccharide organic oxide leucine or derivatives aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide methyl-branched fatty acid azacycle n-acyl-alpha-amino acid tetrahydrofuran tetrahydropyridine carboxamide group branched fatty acid oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound enamine

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