DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:30 UTC
Update Date	2025-03-25 00:45:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149972
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈NO₇+
Molecular Mass	276.1078
SMILES	C[N+](=O)CC(=O)CC(O)(CCC(=O)O)CCC(=O)O
InChI Key	NXFIQRAHEQZVJY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino fatty acids aminoxides beta-hydroxy ketones branched fatty acids carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids organic cations organic oxides organic oxoazanium compounds organopnictogen compounds tertiary alcohols
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid fatty acid carboxylic acid derivative medium-chain hydroxy acid ketone organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic cation organic oxoazanium alcohol amino fatty acid branched fatty acid tertiary alcohol organic oxygen compound aminoxide dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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