DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:59 UTC
Update Date	2025-03-25 00:46:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155783
Frequency	0.5
Structure
Chemical Formula	C₈H₁₄NO₆+
Molecular Mass	220.0816
SMILES	C[N+](=O)C(O)(CCC(=O)O)CCC(=O)O
InChI Key	XYJRSHZFLQYLKY-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	alkanolamines amino fatty acids aminoxides carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids organic cations organic oxides organic oxoazanium compounds organopnictogen compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty acid carboxylic acid derivative amino fatty acid medium-chain hydroxy acid organic oxide organic oxygen compound aminoxide organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organic nitrogen compound organic cation organic oxoazanium organooxygen compound alkanolamine

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