DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:21 UTC
Update Date	2025-03-25 00:47:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160972
Frequency	0.5
Structure
Chemical Formula	C₇H₁₂N₂O₆
Molecular Mass	220.0695
SMILES	NC1CC(O)(C(=O)O)OC(C(=O)O)C1N
InChI Key	PPZQFOZPMTWPBX-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hemiacetals hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids
Substituents	carbonyl group carboxylic acid gamma amino acid or derivatives alpha-hydroxy acid pyran carboxylic acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal delta amino acid or derivatives oxane organoheterocyclic compound pyran carboxylic acid or derivatives hydroxy acid beta amino acid or derivatives oxacycle organic oxygen compound pyran dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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