DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:09 UTC
Update Date	2025-03-21 18:00:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00027029
Frequency	140.9
Structure
Chemical Formula	C₇H₁₃NO₅
Molecular Mass	191.0794
SMILES	CC(NCCC(O)C(=O)O)C(=O)O
InChI Key	KESUALXXJFNVHX-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids alpha hydroxy acids and derivatives amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids monosaccharides organic oxides organopnictogen compounds secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid amino acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide fatty acid alpha-amino acid or derivatives saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid alcohol secondary aliphatic amine hydroxy acid secondary amine organic oxygen compound secondary alcohol dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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