DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:45 UTC
Update Date	2025-03-21 18:06:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066343
Frequency	46.0
Structure
Chemical Formula	C₉H₁₆N₂O₅
Molecular Mass	232.1059
SMILES	NC(=O)CCCNC(CCC(=O)O)C(=O)O
InChI Key	YUEDNGQFVWFVFG-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	glutamic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acids and conjugates fatty amides gamma amino acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds primary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid gamma amino acid or derivatives fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine glutamic acid or derivatives secondary amine carboxamide group organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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