DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:31 UTC
Update Date	2025-03-25 00:59:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234501
Frequency	0.5
Structure
Chemical Formula	C₉H₁₈NO₅+
Molecular Mass	220.1179
SMILES	C[N+](C)(C)CC(=O)OC(O)CCC(=O)O
InChI Key	FAZMSGAGLJQIDK-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	alpha amino acid esters
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amines carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates hemiacetals hydrocarbon derivatives organic cations organic oxides organic salts organopnictogen compounds short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal organic cation organic salt tetraalkylammonium salt alpha-amino acid ester quaternary ammonium salt organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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