DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:35 UTC
Update Date	2025-03-25 00:53:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197979
Frequency	0.5
Structure
Chemical Formula	C₉H₁₈N₃O₅+
Molecular Mass	248.1241
SMILES	C[N+](C)(C)C(CC(NC(N)=O)C(=O)O)C(=O)O
InChI Key	XTIJCVVZIULHEJ-UHFFFAOYSA-O
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 amines carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid fatty acid organic oxide n-carbamoyl-alpha-amino acid or derivatives alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt carbonic acid derivative tetraalkylammonium salt n-carbamoyl-alpha-amino acid quaternary ammonium salt glutamic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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