DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:03 UTC
Update Date	2025-03-25 00:51:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185426
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₉N₃O₁₀
Molecular Mass	365.107
SMILES	NC(=O)CC(N)C(=O)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	BVBLKZIMMYSWFC-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	peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acyl glycines alpha amino acid amides alpha amino acids alpha-amino acyl ester of carbohydrates asparagine and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides n-acyl amines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary carboxylic acid amides pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glucuronic acid or derivatives fatty amide o-glucuronide monosaccharide alpha-amino acid or derivatives pyran carboxylic acid alpha peptide 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives oxane organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol pyran carboxylic acid or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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