DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:21 UTC
Update Date	2025-03-25 01:00:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02245601
Frequency	0.5
Structure
Chemical Formula	C₈H₁₇NO₄
Molecular Mass	191.1158
SMILES	CCNCCCCC(O)(O)C(=O)O
InChI Key	XTBPRHSZTFEWJL-UHFFFAOYSA-N
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	alpha hydroxy acids and derivatives amino acids amino fatty acids carbonyl compounds carbonyl hydrates carboxylic acids dialkylamines hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid carbonyl hydrate amino acid or derivatives amino acid alpha-hydroxy acid fatty acid carboxylic acid derivative medium-chain hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid secondary aliphatic amine secondary amine amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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