DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:16 UTC
Update Date	2025-03-25 00:51:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188255
Frequency	0.5
Structure
Chemical Formula	C₉H₁₈NO₄+
Molecular Mass	204.123
SMILES	CC(O)(CCC(=O)C(=O)O)[N+](C)(C)C
InChI Key	ZCGDPHSBYAZEGF-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	keto acids and derivatives
Subclass	medium-chain keto acids and derivatives
Direct Parent	medium-chain keto acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha-hydroxy ketones alpha-keto acids and derivatives amino fatty acids carboxylic acids fatty acyls hemiaminals hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid alpha-hydroxy ketone carboxylic acid derivative hemiaminal ketone organic oxide organonitrogen compound alpha-keto acid organopnictogen compound hydroxy fatty acid organic cation organic salt alkanolamine tetraalkylammonium salt amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound medium-chain keto acid

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