DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:15 UTC
Update Date	2025-03-25 01:01:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247718
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀N₂O₇
Molecular Mass	280.1271
SMILES	NC(CNCC1(O)OC(CO)C(O)C1O)CC(=O)O
InChI Key	KTYNFMYQJKVKAG-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	amino acids carbonyl compounds carboxylic acids dialkylamines hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols short-chain hydroxy acids and derivatives tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid monosaccharide fatty acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal hydroxy fatty acid primary alcohol organoheterocyclic compound alcohol secondary aliphatic amine tetrahydrofuran secondary amine beta amino acid or derivatives oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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