DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:13 UTC
Update Date	2025-03-25 00:48:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167524
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₈N₂O₇
Molecular Mass	278.1114
SMILES	CC(=O)NC1CC(O)(C(=O)O)OC(C(O)CO)C1N
InChI Key	LTPNYHJKWKUOLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-diols acetamides alpha hydroxy acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives gamma amino acids and derivatives hemiacetals hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	carbonyl group carboxylic acid gamma amino acid or derivatives alpha-hydroxy acid carboxylic acid derivative pyran carboxylic acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal delta amino acid or derivatives oxane primary alcohol organoheterocyclic compound acetamide 1,2-diol c-glucuronide alcohol pyran carboxylic acid or derivatives hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound

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